Molecular Properties | |
SMILES: | O=C(CC1CCCCC1)Nc1cccnc1F |
MW: | 236.29 |
Fraction sp3: | 0.54 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 41.99 |
cLogP: | 3.1296 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z2454425513 |
Enamine Extended REAL: | s_11____11572004____54555 |
Mcule Ultimate: | KJXXQPHNQVAUPK-UHFFFAOYSA-N |
2-halo pyridine
α-Halogen substituted N-heterocycles
Filter94_2_halo_pyridine
2-halopyridine
SID-ELM-8b394441-4
0.633
SID-ELM-b654bfa2-21
0.547
SID-ELM-b654bfa2-9
0.537
SID-ELM-b654bfa2-8
0.522
SID-ELM-2583a2cd-21
0.500
MED-UNK-e6e8ef8a-8
0.494
ALE-HEI-f28a35b5-6
0.492
TRY-UNI-714a760b-10
0.492
EDG-MED-0da5ad92-4
0.492
SID-ELM-b654bfa2-10
0.486
AAR-POS-d2a4d1df-13
0.484
ALE-HEI-f28a35b5-9
0.484
FRA-FAC-9ed5a63a-1
0.484
CHA-KIN-ceadbd93-2
0.478
MAK-UNK-b2c98f02-1
0.475
SID-ELM-b654bfa2-12
0.459
SID-ELM-8b394441-16
0.449
SID-ELM-2583a2cd-4
0.446
SID-ELM-8b394441-18
0.444
SID-ELM-2583a2cd-3
0.438
TRY-UNI-714a760b-1
0.435
SID-ELM-b654bfa2-13
0.432
SID-ELM-8b394441-17
0.431
SID-ELM-8b394441-20
0.429
SID-ELM-b654bfa2-15
0.427
SID-ELM-b654bfa2-11
0.427
SID-ELM-2583a2cd-1
0.419
SID-ELM-2583a2cd-13
0.413
SID-ELM-2583a2cd-18
0.413
SID-ELM-b654bfa2-20
0.408
CHA-KIN-ceadbd93-6
0.405
SID-ELM-b654bfa2-14
0.403
SID-ELM-b654bfa2-16
0.403
SID-ELM-2583a2cd-2
0.400
SID-ELM-2583a2cd-12
0.400
SID-ELM-8b394441-22
0.397
BAR-COM-0f94fc3d-27
0.397
SID-ELM-8b394441-1
0.394
SID-ELM-2583a2cd-16
0.391
SID-ELM-2583a2cd-15
0.389
DAR-DIA-03336633-5
0.388
SID-ELM-2583a2cd-19
0.380
MAK-UNK-b2c98f02-2
0.379
SID-ELM-8b394441-26
0.372
SID-ELM-8b394441-21
0.372
BAR-COM-0f94fc3d-57
0.370
SID-ELM-8b394441-23
0.367
SID-ELM-8b394441-25
0.354
SID-ELM-8b394441-24
0.350
SID-ELM-8b394441-19
0.350
MAK-UNK-b2c98f02-3
0.345
MAR-TRE-3e4e6814-53
0.333
MED-UNK-e6e8ef8a-2
0.329
FRA-FAC-9ed5a63a-2
0.329
AAR-POS-0daf6b7e-20
0.328
EDG-MED-0da5ad92-9
0.325
MAK-UNK-b2c98f02-4
0.319
MED-UNK-e6e8ef8a-3
0.311
MAR-TRE-b77b7921-59
0.308
SAN-PRS-52b81272-1
0.306
WAR-XCH-bdd24732-36
0.301
MAR-TRE-f6f5f473-35
0.300
MAR-TRE-f6f5f473-53
0.286
MAR-TRE-7f7bb9f0-95
0.280
MED-UNK-e6e8ef8a-5
0.280
SIM-DEM-2843056b-6
0.280
MAR-TRE-b77b7921-16
0.280
MAR-TRE-3e4e6814-81
0.279
MAR-TRE-04c86cea-68
0.278
WAR-XCH-bdd24732-37
0.277
MAT-POS-590ac91e-23
0.276
SIM-DEM-1d7050d3-1
0.276
VLA-UCB-34f3ed0c-6
0.276
JOR-UNI-2fc98d0b-12
0.275
MAK-UNK-a7b37c5e-3
0.274
MAT-POS-590ac91e-24
0.273
ALE-HEI-f28a35b5-8
0.270
MAR-TRE-7f7bb9f0-96
0.270
EDG-MED-0da5ad92-14
0.269
MED-UNK-e6e8ef8a-4
0.269
MAR-TRE-6a44bbf2-11
0.268
MAR-TRE-b77b7921-22
0.268
KEI-TRE-d5e2018a-77
0.267
NJA-MAN-b9fb953f-4
0.267
MAR-TRE-b77b7921-53
0.267
CAS-DEP-751a2458-6
0.267
MAR-TRE-74c6519b-95
0.267
JOR-UNI-61e7b1d5-18
0.266
MAT-POS-136e7878-1
0.266
MAR-TRE-14ce9fd6-1
0.265
MED-UNK-e6e8ef8a-7
0.263
SIM-DEM-2843056b-3
0.261
MAR-TRE-9c797165-96
0.259
WAR-XCH-bdd24732-13
0.258
JOR-UNI-61e7b1d5-19
0.257
WJF-WAB-092bbb97-1
0.256
MAR-TRE-9c797165-35
0.256
MAR-TRE-d0525fbf-78
0.256
SIM-DEM-2843056b-7
0.255
JOR-UNI-61e7b1d5-20
0.255