1-chloro-7-methylimidazo[1,5-a]pyridine-3-carboxylic acid

C9H7ClN2O2 — CID 83869559

IUPAC1-chloro-7-methylimidazo[1,5-a]pyridine-3-carboxylic acid
SMILESCc1ccn2c(C(=O)O)nc(Cl)c2c1
InChIInChI=1S/C9H7ClN2O2/c1-5-2-3-12-6(4-5)7(10)11-8(12)9(13)14/h2-4H,1H3,(H,13,14)
InChIKeyXULMOBKXYKEADA-UHFFFAOYSA-N
MW210.62 g/mol
LogP1.99
Rot. Bonds1

About 1-chloro-7-methylimidazo[1,5-a]pyridine-3-carboxylic acid

1-chloro-7-methylimidazo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 83869559) has the molecular formula C9H7ClN2O2 and a molecular weight of 210.62 g/mol. Its IUPAC name is 1-chloro-7-methylimidazo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-chloro-7-methylimidazo[1,5-a]pyridine-3-carboxylic acid
PubChem CID83869559
Molecular FormulaC9H7ClN2O2
Molecular Weight210.62 g/mol
Exact Mass210.02
IUPAC Name1-chloro-7-methylimidazo[1,5-a]pyridine-3-carboxylic acid
SMILESCc1ccn2c(C(=O)O)nc(Cl)c2c1
InChIInChI=1S/C9H7ClN2O2/c1-5-2-3-12-6(4-5)7(10)11-8(12)9(13)14/h2-4H,1H3,(H,13,14)
InChIKeyXULMOBKXYKEADA-UHFFFAOYSA-N
XLogP1.99
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-7-(dimethylamino)imidazo[1,5-a]pyridine-3-carboxylic acid
CID 83898591
3-chloro-7-methylindolizine-1-carboxylic acid
CID 174638129
1-chloro-3-(4-chlorophenyl)-7-methylimidazo[1,5-a]pyridine
CID 117252034
3-tert-butyl-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 83840855
1-chloro-3-phenylimidazo[1,5-a]pyridine-7-carboxylic acid
CID 83870930
1-chloro-3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-7-carboxylic acid
CID 117251715
1-chloro-7-methyl-3-pyridin-3-ylimidazo[1,5-a]pyridine
CID 117251784
1-(1-chloroimidazo[1,5-a]pyridin-3-yl)ethanone
CID 83879180
1-chloro-7-methyl-3-piperidin-4-ylimidazo[1,5-a]pyridine
CID 84741989
7-methyl-3-(2-methylphenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84742900
1-chloro-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-7-carboxylic acid
CID 117251989
3-(aminomethyl)-1-chloroimidazo[1,5-a]pyridine-7-carboxylic acid
CID 84740466

Frequently Asked Questions

What is the IUPAC name of 1-chloro-7-methylimidazo[1,5-a]pyridine-3-carboxylic acid?
The IUPAC name of 1-chloro-7-methylimidazo[1,5-a]pyridine-3-carboxylic acid (CID 83869559) is 1-chloro-7-methylimidazo[1,5-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-chloro-7-methylimidazo[1,5-a]pyridine-3-carboxylic acid?
The canonical SMILES for 1-chloro-7-methylimidazo[1,5-a]pyridine-3-carboxylic acid is Cc1ccn2c(C(=O)O)nc(Cl)c2c1.
What is the InChIKey of 1-chloro-7-methylimidazo[1,5-a]pyridine-3-carboxylic acid?
The InChIKey is XULMOBKXYKEADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2/c1-5-2-3-12-6(4-5)7(10)11-8(12)9(13)14/h2-4H,1H3,(H,13,14).
What are the key properties of 1-chloro-7-methylimidazo[1,5-a]pyridine-3-carboxylic acid?
1-chloro-7-methylimidazo[1,5-a]pyridine-3-carboxylic acid has a molecular weight of 210.62 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-7-methylimidazo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 83869559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).