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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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).