2-(4-chloro-3-methylphenyl)-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid

C16H13ClN2O2 — CID 93203858

IUPAC2-(4-chloro-3-methylphenyl)-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCc1ccn2c(C(=O)O)c(-c3ccc(Cl)c(C)c3)nc2c1
InChIInChI=1S/C16H13ClN2O2/c1-9-5-6-19-13(7-9)18-14(15(19)16(20)21)11-3-4-12(17)10(2)8-11/h3-8H,1-2H3,(H,20,21)
InChIKeyAYIIUGCJNFWIMG-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.97
Rot. Bonds2

About 2-(4-chloro-3-methylphenyl)-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid

2-(4-chloro-3-methylphenyl)-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 93203858) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenyl)-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenyl)-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID93203858
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name2-(4-chloro-3-methylphenyl)-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCc1ccn2c(C(=O)O)c(-c3ccc(Cl)c(C)c3)nc2c1
InChIInChI=1S/C16H13ClN2O2/c1-9-5-6-19-13(7-9)18-14(15(19)16(20)21)11-3-4-12(17)10(2)8-11/h3-8H,1-2H3,(H,20,21)
InChIKeyAYIIUGCJNFWIMG-UHFFFAOYSA-N
XLogP3.97
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenyl)-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-chloro-3-methylphenyl)-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid (CID 93203858) is 2-(4-chloro-3-methylphenyl)-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-chloro-3-methylphenyl)-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-chloro-3-methylphenyl)-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid is Cc1ccn2c(C(=O)O)c(-c3ccc(Cl)c(C)c3)nc2c1.
What is the InChIKey of 2-(4-chloro-3-methylphenyl)-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is AYIIUGCJNFWIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-9-5-6-19-13(7-9)18-14(15(19)16(20)21)11-3-4-12(17)10(2)8-11/h3-8H,1-2H3,(H,20,21).
What are the key properties of 2-(4-chloro-3-methylphenyl)-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid?
2-(4-chloro-3-methylphenyl)-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 300.75 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenyl)-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 93203858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).