Molecular Properties | |
SMILES: | O=C(Cc1ccccc1)Nc1cccnc1Cl |
MW: | 246.06 |
Fraction sp3: | 0.08 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 41.99 |
cLogP: | 2.92 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-5690822093 |
Mcule Ultimate: | WIINERLYPRUASN-UHFFFAOYSA-N |
MolPort: | MolPort-001-545-533 |
2-halo pyridine
α-Halogen substituted N-heterocycles
Filter94_2_halo_pyridine
2-chloropyridine
2-halopyridine
halo-pyridine,_-diazoles_and_-triazoles
AAR-POS-0daf6b7e-27
AAR-POS-0daf6b7e-20
0.600
SID-ELM-8b394441-3
0.526
MAR-TRE-9c797165-96
0.492
SID-ELM-8b394441-4
0.476
TRY-UNI-714a760b-5
0.459
SIM-DEM-1d7050d3-1
0.452
AGN-NEW-cce853d0-1
0.452
AGN-NEW-cce853d0-3
0.452
SAN-PRS-52b81272-2
0.441
MAR-TRE-7f7bb9f0-61
0.431
TRY-UNI-714a760b-2
0.422
MAR-TRE-d0525fbf-93
0.421
MAR-TRE-3e4e6814-63
0.419
RAL-THA-2d450e86-1
0.409
MAR-TRE-3e4e6814-41
0.408
AGN-NEW-c7b24fe3-4
0.406
AGN-NEW-c7b24fe3-5
0.406
EDG-MED-0da5ad92-14
0.403
MAR-TRE-7f7bb9f0-55
0.403
MAR-TRE-67513f76-54
0.403
MAR-TRE-f6f5f473-30
0.388
AGN-NEW-c7b24fe3-1
0.380
MAR-TRE-9c797165-27
0.378
MAR-TRE-3e4e6814-95
0.378
MAR-TRE-4b834d9a-29
0.371
MAR-TRE-74c6519b-44
0.369
MAR-TRE-4b834d9a-1
0.364
AGN-NEW-c7b24fe3-3
0.361
AGN-NEW-c7b24fe3-6
0.361
MAR-TRE-d0525fbf-83
0.357
BEN-DND-61647d40-17
0.357
MAR-TRE-7f7bb9f0-42
0.357
MAR-TRE-9c797165-42
0.352
BAR-COM-4e090d3a-15
0.349
DAR-DIA-03336633-9
0.349
DAR-DIA-03336633-14
0.349
MAR-TRE-7f7bb9f0-23
0.349
DAR-DIA-03336633-8
0.345
DAR-DIA-03336633-13
0.345
NAU-LAT-64f4b287-9
0.344
BEN-DND-61647d40-18
0.343
DAR-DIA-03336633-10
0.341
MAR-TRE-7f7bb9f0-48
0.341
AGN-NEW-c7b24fe3-2
0.338
DAR-DIA-03336633-7
0.337
MAR-TRE-9c797165-49
0.337
ANT-DIA-3c79be55-2
0.333
MAR-TRE-67513f76-71
0.330
MAK-UNK-b2c98f02-1
0.329
MAT-POS-bb423b95-3
0.325
ALP-POS-0c2c77e1-1
0.325
MAR-TRE-9c797165-76
0.323
BAR-COM-0f94fc3d-31
0.321
MAT-POS-bb423b95-2
0.321
SID-ELM-8b394441-1
0.318
MAK-UNK-a7b37c5e-4
0.318
MAT-POS-f7918075-3
0.316
MIC-UNK-08cd9c58-1
0.316
RAL-MED-2de63afb-6
0.316
EDG-MED-0da5ad92-17
0.311
RAL-THA-2d450e86-2
0.311
JOH-UNI-abfda500-4
0.311
ALP-POS-95b75b4d-8
0.310
EDG-MED-0da5ad92-16
0.310
SAM-UNK-2684b532-13
0.310
EDG-MED-0da5ad92-21
0.310
AGN-NEW-cce853d0-2
0.309
BEN-DND-61647d40-7
0.307
ALP-POS-95b75b4d-6
0.306
SAM-UNK-2684b532-11
0.303
BEN-DND-61647d40-8
0.301
TRY-UNI-714a760b-6
0.301
RUB-POS-1325a9ea-8
0.300
MAR-TRE-74c6519b-52
0.299
ABI-SAT-4d06482b-2
0.297
JAN-GHE-5a013bed-10
0.296
GIA-UNK-3f36037a-7
0.295
ALP-POS-95b75b4d-5
0.295
MAT-POS-bb423b95-4
0.295
MAR-TRE-3e4e6814-55
0.295
JIN-POS-6dc588a4-2
0.295
RUB-POS-1325a9ea-17
0.295
JOH-UNI-abfda500-5
0.293
ANN-UNI-98d2bf15-3
0.293
MAR-TRE-1c920f6f-42
0.293
MAT-POS-90fd5f68-37
0.293
SID-ELM-8b394441-6
0.292
JAN-GHE-83b26c96-11
0.290
MIC-SGC-657978c3-7
0.289
MAK-UNK-6ca90168-23
0.289
IAN-BAS-5ff43d1c-1
0.289
MAR-TRE-3159af1a-14
0.289
DAR-DIA-0587064e-5
0.289
JOH-UNI-6fede743-1
0.287
JIN-POS-6dc588a4-24
0.287
JIN-POS-6dc588a4-10
0.287
JIN-POS-6dc588a4-5
0.286
MIC-UNK-d935700b-1
0.286
MAR-TRE-1c920f6f-3
0.286
SAD-SAT-6b5a89f0-8
0.286