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

C13H7BrN4 — CID 54939914

IUPAC4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)benzonitrile
SMILESN#Cc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1
InChIInChI=1S/C13H7BrN4/c14-10-5-11-13(16-7-10)18-12(17-11)9-3-1-8(6-15)2-4-9/h1-5,7H,(H,16,17,18)
InChIKeyNBRKITRXFMODQO-UHFFFAOYSA-N
MW299.13 g/mol
LogP3.26
Rot. Bonds1

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

4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)benzonitrile (PubChem CID 54939914) has the molecular formula C13H7BrN4 and a molecular weight of 299.13 g/mol. Its IUPAC name is 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)benzonitrile.

Molecular Properties

Compound Name4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)benzonitrile
PubChem CID54939914
Molecular FormulaC13H7BrN4
Molecular Weight299.13 g/mol
Exact Mass297.99
IUPAC Name4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)benzonitrile
SMILESN#Cc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1
InChIInChI=1S/C13H7BrN4/c14-10-5-11-13(16-7-10)18-12(17-11)9-3-1-8(6-15)2-4-9/h1-5,7H,(H,16,17,18)
InChIKeyNBRKITRXFMODQO-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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Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)benzonitrile?
The IUPAC name of 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)benzonitrile (CID 54939914) is 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)benzonitrile.
What is the SMILES notation for 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)benzonitrile?
The canonical SMILES for 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)benzonitrile is N#Cc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1.
What is the InChIKey of 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)benzonitrile?
The InChIKey is NBRKITRXFMODQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrN4/c14-10-5-11-13(16-7-10)18-12(17-11)9-3-1-8(6-15)2-4-9/h1-5,7H,(H,16,17,18).
What are the key properties of 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)benzonitrile?
4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)benzonitrile 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 4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)benzonitrile is sourced from PubChem (CID 54939914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).