6-[(3,4-difluorophenyl)methyl]-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid

C16H12F2N2O2 — CID 22479086

IUPAC6-[(3,4-difluorophenyl)methyl]-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCc1cc(Cc2ccc(F)c(F)c2)cn2cc(C(=O)O)nc12
InChIInChI=1S/C16H12F2N2O2/c1-9-4-11(5-10-2-3-12(17)13(18)6-10)7-20-8-14(16(21)22)19-15(9)20/h2-4,6-8H,5H2,1H3,(H,21,22)
InChIKeyIYKQCNULXHIJPV-UHFFFAOYSA-N
MW302.28 g/mol
LogP3.21
Rot. Bonds3

About 6-[(3,4-difluorophenyl)methyl]-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid

6-[(3,4-difluorophenyl)methyl]-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 22479086) has the molecular formula C16H12F2N2O2 and a molecular weight of 302.28 g/mol. Its IUPAC name is 6-[(3,4-difluorophenyl)methyl]-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(3,4-difluorophenyl)methyl]-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID22479086
Molecular FormulaC16H12F2N2O2
Molecular Weight302.28 g/mol
Exact Mass302.09
IUPAC Name6-[(3,4-difluorophenyl)methyl]-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCc1cc(Cc2ccc(F)c(F)c2)cn2cc(C(=O)O)nc12
InChIInChI=1S/C16H12F2N2O2/c1-9-4-11(5-10-2-3-12(17)13(18)6-10)7-20-8-14(16(21)22)19-15(9)20/h2-4,6-8H,5H2,1H3,(H,21,22)
InChIKeyIYKQCNULXHIJPV-UHFFFAOYSA-N
XLogP3.21
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[(3,4-difluorophenyl)methyl]-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-difluorophenyl)methyl]-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(3,4-difluorophenyl)methyl]-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid (CID 22479086) is 6-[(3,4-difluorophenyl)methyl]-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(3,4-difluorophenyl)methyl]-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(3,4-difluorophenyl)methyl]-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid is Cc1cc(Cc2ccc(F)c(F)c2)cn2cc(C(=O)O)nc12.
What is the InChIKey of 6-[(3,4-difluorophenyl)methyl]-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is IYKQCNULXHIJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O2/c1-9-4-11(5-10-2-3-12(17)13(18)6-10)7-20-8-14(16(21)22)19-15(9)20/h2-4,6-8H,5H2,1H3,(H,21,22).
What are the key properties of 6-[(3,4-difluorophenyl)methyl]-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid?
6-[(3,4-difluorophenyl)methyl]-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 302.28 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,4-difluorophenyl)methyl]-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 22479086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).