1-chloro-3-(2-methylphenyl)imidazo[1,5-a]pyridine-5-carboxylic acid

C15H11ClN2O2 — CID 117250730

IUPAC1-chloro-3-(2-methylphenyl)imidazo[1,5-a]pyridine-5-carboxylic acid
SMILESCc1ccccc1-c1nc(Cl)c2cccc(C(=O)O)n12
InChIInChI=1S/C15H11ClN2O2/c1-9-5-2-3-6-10(9)14-17-13(16)11-7-4-8-12(15(19)20)18(11)14/h2-8H,1H3,(H,19,20)
InChIKeyGJVAIDMPGSOKAM-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.66
Rot. Bonds2

About 1-chloro-3-(2-methylphenyl)imidazo[1,5-a]pyridine-5-carboxylic acid

1-chloro-3-(2-methylphenyl)imidazo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 117250730) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 1-chloro-3-(2-methylphenyl)imidazo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name1-chloro-3-(2-methylphenyl)imidazo[1,5-a]pyridine-5-carboxylic acid
PubChem CID117250730
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name1-chloro-3-(2-methylphenyl)imidazo[1,5-a]pyridine-5-carboxylic acid
SMILESCc1ccccc1-c1nc(Cl)c2cccc(C(=O)O)n12
InChIInChI=1S/C15H11ClN2O2/c1-9-5-2-3-6-10(9)14-17-13(16)11-7-4-8-12(15(19)20)18(11)14/h2-8H,1H3,(H,19,20)
InChIKeyGJVAIDMPGSOKAM-UHFFFAOYSA-N
XLogP3.66
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-5-methyl-3-(2-methylphenyl)imidazo[1,5-a]pyridine
CID 117250780
1-chloro-3-(3-hydroxyphenyl)imidazo[1,5-a]pyridine-5-carboxylic acid
CID 117250659
1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid
CID 117250442
3-chloro-1-methylimidazo[1,5-a]pyridine-5-carboxylic acid
CID 83834906
1-chloro-3-cyclopentylimidazo[1,5-a]pyridine-5-carboxylic acid
CID 117250887
1-chloro-3-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-5-amine
CID 117250747
methyl 1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-carboxylate
CID 117250443
3-(2-fluorophenyl)-5-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117250743
2-(1-chloro-3-methylimidazo[1,5-a]pyridin-5-yl)acetic acid
CID 83839544
1-chloro-5-methoxyimidazo[1,5-a]pyridine-3-carboxylic acid
CID 117253321
3-bromo-2-methylimidazo[1,2-a]pyridine-5-carboxylic acid
CID 83693349
carbonic acid;1-methyl-2-(2-methylphenyl)benzene
CID 67741238

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(2-methylphenyl)imidazo[1,5-a]pyridine-5-carboxylic acid?
The IUPAC name of 1-chloro-3-(2-methylphenyl)imidazo[1,5-a]pyridine-5-carboxylic acid (CID 117250730) is 1-chloro-3-(2-methylphenyl)imidazo[1,5-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 1-chloro-3-(2-methylphenyl)imidazo[1,5-a]pyridine-5-carboxylic acid?
The canonical SMILES for 1-chloro-3-(2-methylphenyl)imidazo[1,5-a]pyridine-5-carboxylic acid is Cc1ccccc1-c1nc(Cl)c2cccc(C(=O)O)n12.
What is the InChIKey of 1-chloro-3-(2-methylphenyl)imidazo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is GJVAIDMPGSOKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c1-9-5-2-3-6-10(9)14-17-13(16)11-7-4-8-12(15(19)20)18(11)14/h2-8H,1H3,(H,19,20).
What are the key properties of 1-chloro-3-(2-methylphenyl)imidazo[1,5-a]pyridine-5-carboxylic acid?
1-chloro-3-(2-methylphenyl)imidazo[1,5-a]pyridine-5-carboxylic acid has a molecular weight of 286.72 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(2-methylphenyl)imidazo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 117250730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).