6-(6-bromo-1H-benzimidazol-2-yl)pyridine-3-carbonitrile

C13H7BrN4 — CID 64725155

IUPAC6-(6-bromo-1H-benzimidazol-2-yl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2nc3ccc(Br)cc3[nH]2)nc1
InChIInChI=1S/C13H7BrN4/c14-9-2-4-10-12(5-9)18-13(17-10)11-3-1-8(6-15)7-16-11/h1-5,7H,(H,17,18)
InChIKeyPVDBOHNDVXIUCD-UHFFFAOYSA-N
MW299.13 g/mol
LogP3.26
Rot. Bonds1

About 6-(6-bromo-1H-benzimidazol-2-yl)pyridine-3-carbonitrile

6-(6-bromo-1H-benzimidazol-2-yl)pyridine-3-carbonitrile (PubChem CID 64725155) has the molecular formula C13H7BrN4 and a molecular weight of 299.13 g/mol. Its IUPAC name is 6-(6-bromo-1H-benzimidazol-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(6-bromo-1H-benzimidazol-2-yl)pyridine-3-carbonitrile
PubChem CID64725155
Molecular FormulaC13H7BrN4
Molecular Weight299.13 g/mol
Exact Mass297.99
IUPAC Name6-(6-bromo-1H-benzimidazol-2-yl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2nc3ccc(Br)cc3[nH]2)nc1
InChIInChI=1S/C13H7BrN4/c14-9-2-4-10-12(5-9)18-13(17-10)11-3-1-8(6-15)7-16-11/h1-5,7H,(H,17,18)
InChIKeyPVDBOHNDVXIUCD-UHFFFAOYSA-N
XLogP3.26
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
CID 114909112
6-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)pyridine-3-carbonitrile
CID 63722697
2-(5-bromo-2-pyridinyl)-6-methyl-1H-benzimidazole
CID 62958312
2-(5-bromo-2-chlorophenyl)-3H-benzimidazole-5-carbonitrile
CID 79004257
2-(5-bromo-2-fluorophenyl)-3H-benzimidazole-5-carbonitrile
CID 78908153
6-(7H-purin-8-yl)pyridine-3-carbonitrile
CID 114402609
2-quinoxalin-2-yl-3H-benzimidazole-5-carbonitrile
CID 107356609
2-(5-bromo-2-pyridinyl)-3H-benzimidazole-5-carboxylic acid
CID 55153437
2-quinolin-2-yl-3H-benzimidazole-5-carbonitrile
CID 79004134
6-(4-methyl-1H-benzimidazol-2-yl)pyridine-3-carbonitrile
CID 64722293
6-bromo-2-(3-bromophenyl)-1H-benzimidazole
CID 64722123
2-(4-methylphenyl)-3H-benzimidazole-5-carbonitrile
CID 10489821

Frequently Asked Questions

What is the IUPAC name of 6-(6-bromo-1H-benzimidazol-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-(6-bromo-1H-benzimidazol-2-yl)pyridine-3-carbonitrile (CID 64725155) is 6-(6-bromo-1H-benzimidazol-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(6-bromo-1H-benzimidazol-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(6-bromo-1H-benzimidazol-2-yl)pyridine-3-carbonitrile is N#Cc1ccc(-c2nc3ccc(Br)cc3[nH]2)nc1.
What is the InChIKey of 6-(6-bromo-1H-benzimidazol-2-yl)pyridine-3-carbonitrile?
The InChIKey is PVDBOHNDVXIUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrN4/c14-9-2-4-10-12(5-9)18-13(17-10)11-3-1-8(6-15)7-16-11/h1-5,7H,(H,17,18).
What are the key properties of 6-(6-bromo-1H-benzimidazol-2-yl)pyridine-3-carbonitrile?
6-(6-bromo-1H-benzimidazol-2-yl)pyridine-3-carbonitrile has a molecular weight of 299.13 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-bromo-1H-benzimidazol-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 64725155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).