3-(5-chlorofuran-2-yl)-6-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid

C12H7ClN2O4 — CID 117251172

IUPAC3-(5-chlorofuran-2-yl)-6-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc(Cl)o2)n2cc(O)ccc12
InChIInChI=1S/C12H7ClN2O4/c13-9-4-3-8(19-9)11-14-10(12(17)18)7-2-1-6(16)5-15(7)11/h1-5,16H,(H,17,18)
InChIKeySTXUAZYKCBLYFZ-UHFFFAOYSA-N
MW278.65 g/mol
LogP2.65
Rot. Bonds2

About 3-(5-chlorofuran-2-yl)-6-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid

3-(5-chlorofuran-2-yl)-6-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117251172) has the molecular formula C12H7ClN2O4 and a molecular weight of 278.65 g/mol. Its IUPAC name is 3-(5-chlorofuran-2-yl)-6-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-(5-chlorofuran-2-yl)-6-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117251172
Molecular FormulaC12H7ClN2O4
Molecular Weight278.65 g/mol
Exact Mass278.01
IUPAC Name3-(5-chlorofuran-2-yl)-6-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc(Cl)o2)n2cc(O)ccc12
InChIInChI=1S/C12H7ClN2O4/c13-9-4-3-8(19-9)11-14-10(12(17)18)7-2-1-6(16)5-15(7)11/h1-5,16H,(H,17,18)
InChIKeySTXUAZYKCBLYFZ-UHFFFAOYSA-N
XLogP2.65
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.65
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-hydroxy-3-(2-methylphenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117251391
3-(azetidin-3-yl)-6-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253497
3-(5-chlorofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxylic acid
CID 117248395
6-bromo-3-(3-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84745078
6-hydroxy-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255302
3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117147652
1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid
CID 117250442
6-bromo-3-(2-methylphenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84744921
3-(4-fluorophenyl)-6-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117251462
1-chloro-3-pyridin-4-ylimidazo[1,5-a]pyridin-6-ol
CID 117251530
methyl 1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-8-carboxylate
CID 117252289
6-amino-3-(3-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117251336

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorofuran-2-yl)-6-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 3-(5-chlorofuran-2-yl)-6-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid (CID 117251172) is 3-(5-chlorofuran-2-yl)-6-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 3-(5-chlorofuran-2-yl)-6-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 3-(5-chlorofuran-2-yl)-6-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid is O=C(O)c1nc(-c2ccc(Cl)o2)n2cc(O)ccc12.
What is the InChIKey of 3-(5-chlorofuran-2-yl)-6-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is STXUAZYKCBLYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2O4/c13-9-4-3-8(19-9)11-14-10(12(17)18)7-2-1-6(16)5-15(7)11/h1-5,16H,(H,17,18).
What are the key properties of 3-(5-chlorofuran-2-yl)-6-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid?
3-(5-chlorofuran-2-yl)-6-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 278.65 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorofuran-2-yl)-6-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117251172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).