Molecular Properties | |
SMILES: | O=C(CC1CCCCC1)Nc1cccnc1Cl |
MW: | 252.745 |
Fraction sp3: | 0.54 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 41.99 |
cLogP: | 3.6439 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z240656874 |
Mcule: | MCULE-1624903579 |
Mcule Ultimate: | JRMRTNIRNMEUIS-UHFFFAOYSA-N |
MolPort: | MolPort-037-248-507 |
2-halo pyridine
α-Halogen substituted N-heterocycles
Filter94_2_halo_pyridine
2-chloropyridine
2-halopyridine
halo-pyridine,_-diazoles_and_-triazoles
SID-ELM-8b394441-2
0.633
AAR-POS-0daf6b7e-20
0.574
SID-ELM-8b394441-16
0.538
SID-ELM-8b394441-17
0.515
SID-ELM-8b394441-18
0.507
SID-ELM-2583a2cd-21
0.500
MED-UNK-e6e8ef8a-8
0.494
TRY-UNI-714a760b-10
0.492
EDG-MED-0da5ad92-4
0.492
ALE-HEI-f28a35b5-6
0.492
SID-ELM-8b394441-20
0.486
ALE-HEI-f28a35b5-9
0.484
FRA-FAC-9ed5a63a-1
0.484
AAR-POS-d2a4d1df-13
0.484
CHA-KIN-ceadbd93-2
0.478
MAK-UNK-a7b37c5e-3
0.476
MAK-UNK-b2c98f02-1
0.475
SID-ELM-8b394441-22
0.473
SID-ELM-2583a2cd-4
0.466
SID-ELM-b654bfa2-21
0.456
SID-ELM-8b394441-25
0.446
SID-ELM-2583a2cd-3
0.438
MAR-TRE-9c797165-96
0.437
SID-ELM-b654bfa2-8
0.437
TRY-UNI-714a760b-1
0.435
SID-ELM-b654bfa2-9
0.431
SID-ELM-b654bfa2-10
0.429
SID-ELM-8b394441-21
0.427
SID-ELM-8b394441-26
0.427
SID-ELM-b654bfa2-12
0.421
SID-ELM-8b394441-23
0.421
SID-ELM-2583a2cd-1
0.419
SID-ELM-2583a2cd-12
0.419
SID-ELM-2583a2cd-18
0.413
SID-ELM-2583a2cd-13
0.413
CHA-KIN-ceadbd93-6
0.405
MAR-TRE-7f7bb9f0-61
0.403
SID-ELM-8b394441-19
0.403
SID-ELM-8b394441-24
0.403
MAR-TRE-f6f5f473-30
0.398
MAR-TRE-74c6519b-44
0.395
SID-ELM-b654bfa2-13
0.395
SID-ELM-8b394441-3
0.394
MAR-TRE-3e4e6814-63
0.392
SID-ELM-2583a2cd-16
0.391
DAR-DIA-03336633-5
0.388
SID-ELM-b654bfa2-14
0.385
SID-ELM-2583a2cd-2
0.382
SID-ELM-2583a2cd-19
0.380
MAK-UNK-b2c98f02-2
0.379
MAR-TRE-7f7bb9f0-55
0.378
MAR-TRE-67513f76-54
0.378
MAR-TRE-9c797165-27
0.372
SID-ELM-b654bfa2-11
0.372
SID-ELM-b654bfa2-15
0.372
AGN-NEW-cce853d0-3
0.370
AGN-NEW-cce853d0-1
0.370
SID-ELM-2583a2cd-15
0.370
MAR-TRE-3e4e6814-41
0.366
MAR-TRE-d0525fbf-93
0.361
SID-ELM-b654bfa2-20
0.354
SID-ELM-b654bfa2-16
0.350
MAK-UNK-b2c98f02-3
0.345
MAR-TRE-3e4e6814-95
0.341
MAR-TRE-d0525fbf-83
0.337
MAR-TRE-7f7bb9f0-42
0.337
MAR-TRE-9c797165-42
0.333
MAR-TRE-3e4e6814-53
0.333
BAR-COM-0f94fc3d-31
0.333
MAR-TRE-7f7bb9f0-23
0.330
MAR-TRE-7f7bb9f0-48
0.323
MAR-TRE-9c797165-49
0.319
MAK-UNK-b2c98f02-4
0.319
MAR-TRE-4b834d9a-1
0.316
MAR-TRE-67513f76-71
0.312
FRA-FAC-9ed5a63a-2
0.311
MED-UNK-e6e8ef8a-2
0.311
MED-UNK-e6e8ef8a-3
0.311
MAR-TRE-4b834d9a-29
0.309
EDG-MED-0da5ad92-9
0.308
MAR-TRE-9c797165-76
0.306
SAN-PRS-52b81272-1
0.306
EDG-MED-0da5ad92-14
0.303
MAR-TRE-f6f5f473-35
0.300
AGN-NEW-c7b24fe3-4
0.291
AGN-NEW-c7b24fe3-5
0.291
MAT-POS-590ac91e-24
0.289
JOR-UNI-2fc98d0b-12
0.289
VLA-UCB-34f3ed0c-6
0.289
ALE-HEI-f28a35b5-8
0.288
MAR-TRE-f6f5f473-53
0.286
MAR-TRE-6a44bbf2-11
0.284
MAR-TRE-b77b7921-53
0.282
KEI-TRE-d5e2018a-77
0.282
MAR-TRE-f6f5f473-16
0.281
MAR-TRE-7f7bb9f0-95
0.280
MED-UNK-e6e8ef8a-5
0.280
MAT-POS-136e7878-1
0.280
MAR-TRE-b77b7921-16
0.280
SIM-DEM-2843056b-6
0.280