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

C9H7ClN2O3 — CID 117253321

IUPAC1-chloro-5-methoxyimidazo[1,5-a]pyridine-3-carboxylic acid
SMILESCOc1cccc2c(Cl)nc(C(=O)O)n12
InChIInChI=1S/C9H7ClN2O3/c1-15-6-4-2-3-5-7(10)11-8(9(13)14)12(5)6/h2-4H,1H3,(H,13,14)
InChIKeyRSUIOUHHTUDEAG-UHFFFAOYSA-N
MW226.62 g/mol
LogP1.69
Rot. Bonds2

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

1-chloro-5-methoxyimidazo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 117253321) has the molecular formula C9H7ClN2O3 and a molecular weight of 226.62 g/mol. Its IUPAC name is 1-chloro-5-methoxyimidazo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-chloro-5-methoxyimidazo[1,5-a]pyridine-3-carboxylic acid
PubChem CID117253321
Molecular FormulaC9H7ClN2O3
Molecular Weight226.62 g/mol
Exact Mass226.01
IUPAC Name1-chloro-5-methoxyimidazo[1,5-a]pyridine-3-carboxylic acid
SMILESCOc1cccc2c(Cl)nc(C(=O)O)n12
InChIInChI=1S/C9H7ClN2O3/c1-15-6-4-2-3-5-7(10)11-8(9(13)14)12(5)6/h2-4H,1H3,(H,13,14)
InChIKeyRSUIOUHHTUDEAG-UHFFFAOYSA-N
XLogP1.69
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.62
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-chloro-3-methylimidazo[1,5-a]pyridin-5-yl)acetic acid
CID 83839544
1-chloro-3-(2-methylphenyl)imidazo[1,5-a]pyridine-5-carboxylic acid
CID 117250730
1-(chloromethyl)-5-methoxy-3-methylimidazo[1,5-a]pyridine
CID 112552824
methyl 1-chloro-3-(2-hydroxyethyl)imidazo[1,5-a]pyridine-5-carboxylate
CID 117250231
methyl 3-(2-hydroxypropyl)-5-methoxyimidazo[1,5-a]pyridine-1-carboxylate
CID 117252733
1-(1-chloroimidazo[1,5-a]pyridin-3-yl)ethanone
CID 83879180
1-chloro-3-cyclopentylimidazo[1,5-a]pyridine-5-carboxylic acid
CID 117250887
methyl 1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-carboxylate
CID 117250443
1-chloro-7-(dimethylamino)imidazo[1,5-a]pyridine-3-carboxylic acid
CID 83898591
1-chloro-3-(2-methoxyethyl)-5-methylimidazo[1,5-a]pyridine
CID 117250259
3-chloro-4-methoxy-1-methylindole-2-carboxylic acid
CID 102544072
3-chloro-1-methylimidazo[1,5-a]pyridine-5-carboxylic acid
CID 83834906

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-methoxyimidazo[1,5-a]pyridine-3-carboxylic acid?
The IUPAC name of 1-chloro-5-methoxyimidazo[1,5-a]pyridine-3-carboxylic acid (CID 117253321) is 1-chloro-5-methoxyimidazo[1,5-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-chloro-5-methoxyimidazo[1,5-a]pyridine-3-carboxylic acid?
The canonical SMILES for 1-chloro-5-methoxyimidazo[1,5-a]pyridine-3-carboxylic acid is COc1cccc2c(Cl)nc(C(=O)O)n12.
What is the InChIKey of 1-chloro-5-methoxyimidazo[1,5-a]pyridine-3-carboxylic acid?
The InChIKey is RSUIOUHHTUDEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O3/c1-15-6-4-2-3-5-7(10)11-8(9(13)14)12(5)6/h2-4H,1H3,(H,13,14).
What are the key properties of 1-chloro-5-methoxyimidazo[1,5-a]pyridine-3-carboxylic acid?
1-chloro-5-methoxyimidazo[1,5-a]pyridine-3-carboxylic acid has a molecular weight of 226.62 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-methoxyimidazo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 117253321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).