Molecular Properties | |
SMILES: | O=C(Nc1ccccc1)Nc1cccnc1F |
MW: | 231.23 |
Fraction sp3: | 0.0 |
HBA: | 2 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 54.02 |
cLogP: | 2.8647 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
2-halo pyridine
α-Halogen substituted N-heterocycles
Filter94_2_halo_pyridine
2-halopyridine
SID-ELM-8b394441-3
0.593
SID-ELM-b654bfa2-3
0.525
SID-ELM-b654bfa2-1
0.517
SID-ELM-b654bfa2-2
0.508
SID-ELM-2583a2cd-20
0.477
AAR-POS-d2a4d1df-11
0.455
TRY-UNI-714a760b-4
0.450
ALE-HEI-f28a35b5-1
0.450
HAN-NEW-5f56c3bc-1
0.443
SID-ELM-b654bfa2-4
0.441
MAK-UNK-129dcd6f-1
0.438
CAS-DEP-751a2458-6
0.435
MAK-UNK-30aad1f1-9
0.432
MAK-UNK-129dcd6f-18
0.432
SID-ELM-8b394441-5
0.429
SID-ELM-b654bfa2-5
0.426
SID-ELM-8b394441-7
0.424
SID-ELM-2583a2cd-11
0.418
SID-ELM-2583a2cd-17
0.418
SID-ELM-2583a2cd-22
0.418
WIL-UNI-5578df48-12
0.418
MAK-UNK-129dcd6f-6
0.415
SID-ELM-8b394441-6
0.415
WIL-UNI-5578df48-10
0.415
TRY-UNI-714a760b-8
0.413
SID-ELM-b654bfa2-6
0.412
SID-ELM-b654bfa2-7
0.406
SID-ELM-2583a2cd-8
0.397
WIL-UNI-5578df48-11
0.397
SID-ELM-2583a2cd-10
0.397
SID-ELM-b654bfa2-22
0.394
SID-ELM-8b394441-2
0.394
SID-ELM-2583a2cd-9
0.391
SID-ELM-b654bfa2-19
0.391
SID-ELM-2583a2cd-7
0.381
PET-SGC-0f1d26ed-1
0.380
SID-ELM-b654bfa2-17
0.380
SID-ELM-b654bfa2-18
0.380
SID-ELM-8b394441-9
0.380
SID-ELM-2583a2cd-5
0.377
SID-ELM-2583a2cd-6
0.371
SID-ELM-8b394441-11
0.366
MAK-UNK-129dcd6f-15
0.365
WIL-UNI-5578df48-9
0.365
MAX-MCD-16e3709a-1
0.364
WIL-UNI-5578df48-13
0.364
BAR-COM-0f94fc3d-57
0.364
SID-ELM-8b394441-12
0.361
DAR-DIA-fc970077-9
0.359
MAK-UNK-30aad1f1-15
0.359
PET-SGC-0f1d26ed-2
0.357
SID-ELM-2583a2cd-14
0.357
MAK-UNK-de8f6d00-1
0.356
WAR-XCH-79d12f6e-3
0.349
SID-ELM-8b394441-15
0.347
GIA-UNK-3f36037a-7
0.345
WIL-UNI-5578df48-7
0.343
MAK-UNK-129dcd6f-8
0.342
MAK-UNK-129dcd6f-17
0.342
MAK-UNK-30aad1f1-4
0.341
NIC-UNI-0cb6411b-1
0.341
WIL-UNI-5578df48-6
0.338
DAR-DIA-fc970077-14
0.338
SID-ELM-8b394441-8
0.338
BAR-COM-0f94fc3d-27
0.338
MAK-UNK-30aad1f1-17
0.333
MAK-UNK-129dcd6f-16
0.333
SID-ELM-8b394441-13
0.333
ROD-LAS-d5538ff9-9
0.333
JIA-UNI-12b1f9ae-1
0.333
HAN-NEW-5f56c3bc-3
0.329
DAR-DIA-03336633-1
0.329
SID-ELM-8b394441-14
0.329
AAR-UNI-c25c2f1e-79
0.329
MAK-UNK-30aad1f1-16
0.325
SID-ELM-8b394441-10
0.324
MAR-TRE-e86a56b5-66
0.324
DAR-DIA-03336633-11
0.321
MAK-UNK-129dcd6f-7
0.321
TAT-ENA-80bfd3e5-23
0.318
MAK-UNK-a7b37c5e-3
0.318
SAD-SAT-6b5a89f0-8
0.315
MAK-UNK-de8f6d00-6
0.312
WAR-XCH-79d12f6e-10
0.312
WAR-XCH-b0339bbe-20
0.312
SAD-SAT-689b7d5a-5
0.312
WIL-UNI-5578df48-8
0.310
CHR-SOS-7098f804-9
0.309
DRE-WAB-9b73098a-1
0.309
BEN-DND-031a96cc-8
0.308
WAR-XCH-b0339bbe-9
0.307
AAR-UNI-c25c2f1e-16
0.306
MAK-UNK-37f1d6fa-4
0.305
WAR-XCH-b0339bbe-12
0.304
WAR-XCH-79d12f6e-1
0.304
TAM-UNI-c140e31a-19
0.301
AAR-UNI-c25c2f1e-100
0.301
AAR-UNI-c25c2f1e-40
0.301
MAK-UNK-30aad1f1-2
0.300
MAK-UNK-30aad1f1-3
0.300