2-benzoyl-7-chloro-3-ethylimidazo[1,2-a]pyridine-6-carbonitrile

C17H12ClN3O — CID 156854996

IUPAC2-benzoyl-7-chloro-3-ethylimidazo[1,2-a]pyridine-6-carbonitrile
SMILESCCc1c(C(=O)c2ccccc2)nc2cc(Cl)c(C#N)cn12
InChIInChI=1S/C17H12ClN3O/c1-2-14-16(17(22)11-6-4-3-5-7-11)20-15-8-13(18)12(9-19)10-21(14)15/h3-8,10H,2H2,1H3
InChIKeyVVSAAAOWTBIDCL-UHFFFAOYSA-N
MW309.76 g/mol
LogP3.65
Rot. Bonds3

About 2-benzoyl-7-chloro-3-ethylimidazo[1,2-a]pyridine-6-carbonitrile

2-benzoyl-7-chloro-3-ethylimidazo[1,2-a]pyridine-6-carbonitrile (PubChem CID 156854996) has the molecular formula C17H12ClN3O and a molecular weight of 309.76 g/mol. Its IUPAC name is 2-benzoyl-7-chloro-3-ethylimidazo[1,2-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name2-benzoyl-7-chloro-3-ethylimidazo[1,2-a]pyridine-6-carbonitrile
PubChem CID156854996
Molecular FormulaC17H12ClN3O
Molecular Weight309.76 g/mol
Exact Mass309.07
IUPAC Name2-benzoyl-7-chloro-3-ethylimidazo[1,2-a]pyridine-6-carbonitrile
SMILESCCc1c(C(=O)c2ccccc2)nc2cc(Cl)c(C#N)cn12
InChIInChI=1S/C17H12ClN3O/c1-2-14-16(17(22)11-6-4-3-5-7-11)20-15-8-13(18)12(9-19)10-21(14)15/h3-8,10H,2H2,1H3
InChIKeyVVSAAAOWTBIDCL-UHFFFAOYSA-N
XLogP3.65
TPSA58.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-4-cyano-2-ethylphenyl)acetic acid
CID 131410900
2-(4-chloro-2-cyano-5-ethylphenyl)acetic acid
CID 118811192
6,7-dibenzoylnaphthalene-2,3-dicarbonitrile
CID 44556911
2-benzoyl-6-ethyl-7-methoxyimidazo[1,2-c]pyrimidin-5-one
CID 13478378
3-ethyl-2-[hydroxy-[2-(1-methylpyrazol-3-yl)phenyl]methyl]-7-methoxyimidazo[1,2-a]pyridine-6-carbonitrile
CID 175448444
6-benzoyl-2-(2-chlorophenyl)-3-imino-5-methylpyridazine-4-carbonitrile
CID 826700
2-(3,4-dibenzoylpyrazol-1-yl)benzonitrile
CID 175705343
5-[5-ethyl-1-[(E)-2-fluoroprop-1-enyl]-2-(methylideneamino)imidazole-4-carbonyl]-2-hydroxybenzonitrile
CID 155328060
6-chloro-7-cyano-2-propan-2-ylimidazo[1,2-a]pyridine-3-sulfonic acid
CID 86710129
N-[5-(3-chloro-4-cyanophenyl)-2-methyl-4-oxopentyl]-3-ethyl-2-propylimidazo[1,2-a]pyridine-7-carboxamide
CID 160531736
5-benzoyl-2-ethylsulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 2321178
2-benzoyl-4-chloro-6-methylbenzonitrile
CID 166441428

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-7-chloro-3-ethylimidazo[1,2-a]pyridine-6-carbonitrile?
The IUPAC name of 2-benzoyl-7-chloro-3-ethylimidazo[1,2-a]pyridine-6-carbonitrile (CID 156854996) is 2-benzoyl-7-chloro-3-ethylimidazo[1,2-a]pyridine-6-carbonitrile.
What is the SMILES notation for 2-benzoyl-7-chloro-3-ethylimidazo[1,2-a]pyridine-6-carbonitrile?
The canonical SMILES for 2-benzoyl-7-chloro-3-ethylimidazo[1,2-a]pyridine-6-carbonitrile is CCc1c(C(=O)c2ccccc2)nc2cc(Cl)c(C#N)cn12.
What is the InChIKey of 2-benzoyl-7-chloro-3-ethylimidazo[1,2-a]pyridine-6-carbonitrile?
The InChIKey is VVSAAAOWTBIDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O/c1-2-14-16(17(22)11-6-4-3-5-7-11)20-15-8-13(18)12(9-19)10-21(14)15/h3-8,10H,2H2,1H3.
What are the key properties of 2-benzoyl-7-chloro-3-ethylimidazo[1,2-a]pyridine-6-carbonitrile?
2-benzoyl-7-chloro-3-ethylimidazo[1,2-a]pyridine-6-carbonitrile has a molecular weight of 309.76 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-7-chloro-3-ethylimidazo[1,2-a]pyridine-6-carbonitrile is sourced from PubChem (CID 156854996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).