3-bromo-2-phenylimidazo[1,2-a]pyridine-6-carbonitrile

C14H8BrN3 — CID 155934343

IUPAC3-bromo-2-phenylimidazo[1,2-a]pyridine-6-carbonitrile
SMILESN#Cc1ccc2nc(-c3ccccc3)c(Br)n2c1
InChIInChI=1S/C14H8BrN3/c15-14-13(11-4-2-1-3-5-11)17-12-7-6-10(8-16)9-18(12)14/h1-7,9H
InChIKeyJUVQZMDLHCRYQA-UHFFFAOYSA-N
MW298.14 g/mol
LogP3.64
Rot. Bonds1

About 3-bromo-2-phenylimidazo[1,2-a]pyridine-6-carbonitrile

3-bromo-2-phenylimidazo[1,2-a]pyridine-6-carbonitrile (PubChem CID 155934343) has the molecular formula C14H8BrN3 and a molecular weight of 298.14 g/mol. Its IUPAC name is 3-bromo-2-phenylimidazo[1,2-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name3-bromo-2-phenylimidazo[1,2-a]pyridine-6-carbonitrile
PubChem CID155934343
Molecular FormulaC14H8BrN3
Molecular Weight298.14 g/mol
Exact Mass296.99
IUPAC Name3-bromo-2-phenylimidazo[1,2-a]pyridine-6-carbonitrile
SMILESN#Cc1ccc2nc(-c3ccccc3)c(Br)n2c1
InChIInChI=1S/C14H8BrN3/c15-14-13(11-4-2-1-3-5-11)17-12-7-6-10(8-16)9-18(12)14/h1-7,9H
InChIKeyJUVQZMDLHCRYQA-UHFFFAOYSA-N
XLogP3.64
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6-cyano-2-phenylimidazo[1,2-a]pyridin-3-yl) thiocyanate
CID 122229422
2,3-dibromoimidazo[1,2-a]pyridine-6-carbonitrile
CID 126524032
4-(3-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile
CID 852496
3,6-dibromo-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 165178013
3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392633
2-[2-phenyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 82060793
3,5,6-triphenylpyrazine-2-carbonitrile
CID 134914114
6-bromo-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 113303487
3-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridine
CID 90241831
2-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)propanenitrile
CID 82029976
5-bromo-8-phenylimidazo[1,2-a]pyrazine-6-carbonitrile
CID 176898342
2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile
CID 142656814

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-phenylimidazo[1,2-a]pyridine-6-carbonitrile?
The IUPAC name of 3-bromo-2-phenylimidazo[1,2-a]pyridine-6-carbonitrile (CID 155934343) is 3-bromo-2-phenylimidazo[1,2-a]pyridine-6-carbonitrile.
What is the SMILES notation for 3-bromo-2-phenylimidazo[1,2-a]pyridine-6-carbonitrile?
The canonical SMILES for 3-bromo-2-phenylimidazo[1,2-a]pyridine-6-carbonitrile is N#Cc1ccc2nc(-c3ccccc3)c(Br)n2c1.
What is the InChIKey of 3-bromo-2-phenylimidazo[1,2-a]pyridine-6-carbonitrile?
The InChIKey is JUVQZMDLHCRYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrN3/c15-14-13(11-4-2-1-3-5-11)17-12-7-6-10(8-16)9-18(12)14/h1-7,9H.
What are the key properties of 3-bromo-2-phenylimidazo[1,2-a]pyridine-6-carbonitrile?
3-bromo-2-phenylimidazo[1,2-a]pyridine-6-carbonitrile has a molecular weight of 298.14 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-phenylimidazo[1,2-a]pyridine-6-carbonitrile is sourced from PubChem (CID 155934343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).