1-chloro-3-pyridin-3-ylimidazo[1,5-a]pyridine-8-carboxylic acid

C13H8ClN3O2 — CID 117252354

IUPAC1-chloro-3-pyridin-3-ylimidazo[1,5-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1cccn2c(-c3cccnc3)nc(Cl)c12
InChIInChI=1S/C13H8ClN3O2/c14-11-10-9(13(18)19)4-2-6-17(10)12(16-11)8-3-1-5-15-7-8/h1-7H,(H,18,19)
InChIKeySBRYMBYAZMLVQI-UHFFFAOYSA-N
MW273.68 g/mol
LogP2.75
Rot. Bonds2

About 1-chloro-3-pyridin-3-ylimidazo[1,5-a]pyridine-8-carboxylic acid

1-chloro-3-pyridin-3-ylimidazo[1,5-a]pyridine-8-carboxylic acid (PubChem CID 117252354) has the molecular formula C13H8ClN3O2 and a molecular weight of 273.68 g/mol. Its IUPAC name is 1-chloro-3-pyridin-3-ylimidazo[1,5-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name1-chloro-3-pyridin-3-ylimidazo[1,5-a]pyridine-8-carboxylic acid
PubChem CID117252354
Molecular FormulaC13H8ClN3O2
Molecular Weight273.68 g/mol
Exact Mass273.03
IUPAC Name1-chloro-3-pyridin-3-ylimidazo[1,5-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1cccn2c(-c3cccnc3)nc(Cl)c12
InChIInChI=1S/C13H8ClN3O2/c14-11-10-9(13(18)19)4-2-6-17(10)12(16-11)8-3-1-5-15-7-8/h1-7H,(H,18,19)
InChIKeySBRYMBYAZMLVQI-UHFFFAOYSA-N
XLogP2.75
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-chloro-8-methyl-3-pyridin-3-ylimidazo[1,5-a]pyridine
CID 117252364
3-phenylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid
CID 117252473
3-pyridin-3-ylimidazo[1,5-a]pyridine-1,7-dicarboxylic acid
CID 117251777
2-chloro-3-pyridin-3-ylbenzoic acid
CID 46317024
3-benzyl-1-chloroimidazo[1,5-a]pyridine-8-carboxylic acid
CID 117252376
1-[(4-pyridin-3-ylphenyl)methyl]indole-7-carboxylic acid
CID 58306802
2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565551
methyl 1-chloro-3-(3-methylphenyl)imidazo[1,5-a]pyridine-8-carboxylate
CID 117252465
1-chloro-7-methyl-3-pyridin-3-ylimidazo[1,5-a]pyridine
CID 117251784
1-chloro-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-8-carboxylic acid
CID 117252114
3-methyl-2-pyridin-3-ylbenzoic acid
CID 46317094
1-bromo-3-(3-methylphenyl)imidazo[1,5-a]pyridine-8-carboxylic acid
CID 84609069

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-pyridin-3-ylimidazo[1,5-a]pyridine-8-carboxylic acid?
The IUPAC name of 1-chloro-3-pyridin-3-ylimidazo[1,5-a]pyridine-8-carboxylic acid (CID 117252354) is 1-chloro-3-pyridin-3-ylimidazo[1,5-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 1-chloro-3-pyridin-3-ylimidazo[1,5-a]pyridine-8-carboxylic acid?
The canonical SMILES for 1-chloro-3-pyridin-3-ylimidazo[1,5-a]pyridine-8-carboxylic acid is O=C(O)c1cccn2c(-c3cccnc3)nc(Cl)c12.
What is the InChIKey of 1-chloro-3-pyridin-3-ylimidazo[1,5-a]pyridine-8-carboxylic acid?
The InChIKey is SBRYMBYAZMLVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O2/c14-11-10-9(13(18)19)4-2-6-17(10)12(16-11)8-3-1-5-15-7-8/h1-7H,(H,18,19).
What are the key properties of 1-chloro-3-pyridin-3-ylimidazo[1,5-a]pyridine-8-carboxylic acid?
1-chloro-3-pyridin-3-ylimidazo[1,5-a]pyridine-8-carboxylic acid has a molecular weight of 273.68 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-pyridin-3-ylimidazo[1,5-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 117252354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).