2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanylmethyl]benzonitrile

C14H9BrN4S — CID 3245059

IUPAC2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanylmethyl]benzonitrile
SMILESN#Cc1ccccc1CSc1nc2ncc(Br)cc2[nH]1
InChIInChI=1S/C14H9BrN4S/c15-11-5-12-13(17-7-11)19-14(18-12)20-8-10-4-2-1-3-9(10)6-16/h1-5,7H,8H2,(H,17,18,19)
InChIKeyDEYMHFHACXKPOV-UHFFFAOYSA-N
MW345.23 g/mol
LogP3.88
Rot. Bonds3

About 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanylmethyl]benzonitrile

2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanylmethyl]benzonitrile (PubChem CID 3245059) has the molecular formula C14H9BrN4S and a molecular weight of 345.23 g/mol. Its IUPAC name is 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanylmethyl]benzonitrile.

Molecular Properties

Compound Name2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanylmethyl]benzonitrile
PubChem CID3245059
Molecular FormulaC14H9BrN4S
Molecular Weight345.23 g/mol
Exact Mass343.97
IUPAC Name2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanylmethyl]benzonitrile
SMILESN#Cc1ccccc1CSc1nc2ncc(Br)cc2[nH]1
InChIInChI=1S/C14H9BrN4S/c15-11-5-12-13(17-7-11)19-14(18-12)20-8-10-4-2-1-3-9(10)6-16/h1-5,7H,8H2,(H,17,18,19)
InChIKeyDEYMHFHACXKPOV-UHFFFAOYSA-N
XLogP3.88
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanylmethyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanylmethyl]benzonitrile?
The IUPAC name of 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanylmethyl]benzonitrile (CID 3245059) is 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanylmethyl]benzonitrile.
What is the SMILES notation for 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanylmethyl]benzonitrile?
The canonical SMILES for 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanylmethyl]benzonitrile is N#Cc1ccccc1CSc1nc2ncc(Br)cc2[nH]1.
What is the InChIKey of 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanylmethyl]benzonitrile?
The InChIKey is DEYMHFHACXKPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN4S/c15-11-5-12-13(17-7-11)19-14(18-12)20-8-10-4-2-1-3-9(10)6-16/h1-5,7H,8H2,(H,17,18,19).
What are the key properties of 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanylmethyl]benzonitrile?
2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanylmethyl]benzonitrile has a molecular weight of 345.23 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanylmethyl]benzonitrile is sourced from PubChem (CID 3245059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).