6-chloro-1H-imidazo[4,5-b]pyridine-2-carbonitrile

C7H3ClN4 — CID 55254505

IUPAC6-chloro-1H-imidazo[4,5-b]pyridine-2-carbonitrile
SMILESN#Cc1nc2ncc(Cl)cc2[nH]1
InChIInChI=1S/C7H3ClN4/c8-4-1-5-7(10-3-4)12-6(2-9)11-5/h1,3H,(H,10,11,12)
InChIKeyHWCBUORMOQFQCQ-UHFFFAOYSA-N
MW178.58 g/mol
LogP1.48
Rot. Bonds

About 6-chloro-1H-imidazo[4,5-b]pyridine-2-carbonitrile

6-chloro-1H-imidazo[4,5-b]pyridine-2-carbonitrile (PubChem CID 55254505) has the molecular formula C7H3ClN4 and a molecular weight of 178.58 g/mol. Its IUPAC name is 6-chloro-1H-imidazo[4,5-b]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-chloro-1H-imidazo[4,5-b]pyridine-2-carbonitrile
PubChem CID55254505
Molecular FormulaC7H3ClN4
Molecular Weight178.58 g/mol
Exact Mass178.00
IUPAC Name6-chloro-1H-imidazo[4,5-b]pyridine-2-carbonitrile
SMILESN#Cc1nc2ncc(Cl)cc2[nH]1
InChIInChI=1S/C7H3ClN4/c8-4-1-5-7(10-3-4)12-6(2-9)11-5/h1,3H,(H,10,11,12)
InChIKeyHWCBUORMOQFQCQ-UHFFFAOYSA-N
XLogP1.48
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.58
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1H-imidazo[4,5-b]pyridine-2-carbonitrile?
The IUPAC name of 6-chloro-1H-imidazo[4,5-b]pyridine-2-carbonitrile (CID 55254505) is 6-chloro-1H-imidazo[4,5-b]pyridine-2-carbonitrile.
What is the SMILES notation for 6-chloro-1H-imidazo[4,5-b]pyridine-2-carbonitrile?
The canonical SMILES for 6-chloro-1H-imidazo[4,5-b]pyridine-2-carbonitrile is N#Cc1nc2ncc(Cl)cc2[nH]1.
What is the InChIKey of 6-chloro-1H-imidazo[4,5-b]pyridine-2-carbonitrile?
The InChIKey is HWCBUORMOQFQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClN4/c8-4-1-5-7(10-3-4)12-6(2-9)11-5/h1,3H,(H,10,11,12).
What are the key properties of 6-chloro-1H-imidazo[4,5-b]pyridine-2-carbonitrile?
6-chloro-1H-imidazo[4,5-b]pyridine-2-carbonitrile has a molecular weight of 178.58 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1H-imidazo[4,5-b]pyridine-2-carbonitrile is sourced from PubChem (CID 55254505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).