1-chloro-3-(3-methoxyphenyl)imidazo[1,5-a]pyridine-7-carboxylic acid

C15H11ClN2O3 — CID 117251877

IUPAC1-chloro-3-(3-methoxyphenyl)imidazo[1,5-a]pyridine-7-carboxylic acid
SMILESCOc1cccc(-c2nc(Cl)c3cc(C(=O)O)ccn23)c1
InChIInChI=1S/C15H11ClN2O3/c1-21-11-4-2-3-9(7-11)14-17-13(16)12-8-10(15(19)20)5-6-18(12)14/h2-8H,1H3,(H,19,20)
InChIKeyMBHMXEIAUFWVLU-UHFFFAOYSA-N
MW302.72 g/mol
LogP3.36
Rot. Bonds3

About 1-chloro-3-(3-methoxyphenyl)imidazo[1,5-a]pyridine-7-carboxylic acid

1-chloro-3-(3-methoxyphenyl)imidazo[1,5-a]pyridine-7-carboxylic acid (PubChem CID 117251877) has the molecular formula C15H11ClN2O3 and a molecular weight of 302.72 g/mol. Its IUPAC name is 1-chloro-3-(3-methoxyphenyl)imidazo[1,5-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name1-chloro-3-(3-methoxyphenyl)imidazo[1,5-a]pyridine-7-carboxylic acid
PubChem CID117251877
Molecular FormulaC15H11ClN2O3
Molecular Weight302.72 g/mol
Exact Mass302.05
IUPAC Name1-chloro-3-(3-methoxyphenyl)imidazo[1,5-a]pyridine-7-carboxylic acid
SMILESCOc1cccc(-c2nc(Cl)c3cc(C(=O)O)ccn23)c1
InChIInChI=1S/C15H11ClN2O3/c1-21-11-4-2-3-9(7-11)14-17-13(16)12-8-10(15(19)20)5-6-18(12)14/h2-8H,1H3,(H,19,20)
InChIKeyMBHMXEIAUFWVLU-UHFFFAOYSA-N
XLogP3.36
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-chloro-3-phenylimidazo[1,5-a]pyridine-7-carboxylic acid
CID 83870930
1-chloro-3-(3-methoxyphenyl)imidazo[1,5-a]pyridine-8-carboxylic acid
CID 117252470
1-chloro-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-7-carboxylic acid
CID 117251989
1-chloro-3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-7-carboxylic acid
CID 117251715
3-chloro-5-(3-methoxyphenyl)benzoic acid
CID 53225426
methyl 1-chloro-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-7-carboxylate
CID 117251991
3-pyridin-3-ylimidazo[1,5-a]pyridine-1,7-dicarboxylic acid
CID 117251777
1-formyl-3-phenylimidazo[1,5-a]pyridine-7-carboxylic acid
CID 84742895
3-(aminomethyl)-1-chloroimidazo[1,5-a]pyridine-7-carboxylic acid
CID 84740466
1-(4-chlorophenyl)-2-(3-methoxyphenyl)imidazole-4-carboxylic acid
CID 82212317
1-chloro-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine
CID 117250855
1-chloro-7-methyl-3-pyridin-3-ylimidazo[1,5-a]pyridine
CID 117251784

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(3-methoxyphenyl)imidazo[1,5-a]pyridine-7-carboxylic acid?
The IUPAC name of 1-chloro-3-(3-methoxyphenyl)imidazo[1,5-a]pyridine-7-carboxylic acid (CID 117251877) is 1-chloro-3-(3-methoxyphenyl)imidazo[1,5-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 1-chloro-3-(3-methoxyphenyl)imidazo[1,5-a]pyridine-7-carboxylic acid?
The canonical SMILES for 1-chloro-3-(3-methoxyphenyl)imidazo[1,5-a]pyridine-7-carboxylic acid is COc1cccc(-c2nc(Cl)c3cc(C(=O)O)ccn23)c1.
What is the InChIKey of 1-chloro-3-(3-methoxyphenyl)imidazo[1,5-a]pyridine-7-carboxylic acid?
The InChIKey is MBHMXEIAUFWVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3/c1-21-11-4-2-3-9(7-11)14-17-13(16)12-8-10(15(19)20)5-6-18(12)14/h2-8H,1H3,(H,19,20).
What are the key properties of 1-chloro-3-(3-methoxyphenyl)imidazo[1,5-a]pyridine-7-carboxylic acid?
1-chloro-3-(3-methoxyphenyl)imidazo[1,5-a]pyridine-7-carboxylic acid has a molecular weight of 302.72 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(3-methoxyphenyl)imidazo[1,5-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 117251877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).