1-chloro-3-pyridin-2-ylimidazo[1,5-a]pyridine-6-carboxylic acid

C13H8ClN3O2 — CID 117251203

IUPAC1-chloro-3-pyridin-2-ylimidazo[1,5-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2c(Cl)nc(-c3ccccn3)n2c1
InChIInChI=1S/C13H8ClN3O2/c14-11-10-5-4-8(13(18)19)7-17(10)12(16-11)9-3-1-2-6-15-9/h1-7H,(H,18,19)
InChIKeyNMVYOOYJIVOCJP-UHFFFAOYSA-N
MW273.68 g/mol
LogP2.75
Rot. Bonds2

About 1-chloro-3-pyridin-2-ylimidazo[1,5-a]pyridine-6-carboxylic acid

1-chloro-3-pyridin-2-ylimidazo[1,5-a]pyridine-6-carboxylic acid (PubChem CID 117251203) has the molecular formula C13H8ClN3O2 and a molecular weight of 273.68 g/mol. Its IUPAC name is 1-chloro-3-pyridin-2-ylimidazo[1,5-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name1-chloro-3-pyridin-2-ylimidazo[1,5-a]pyridine-6-carboxylic acid
PubChem CID117251203
Molecular FormulaC13H8ClN3O2
Molecular Weight273.68 g/mol
Exact Mass273.03
IUPAC Name1-chloro-3-pyridin-2-ylimidazo[1,5-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2c(Cl)nc(-c3ccccn3)n2c1
InChIInChI=1S/C13H8ClN3O2/c14-11-10-5-4-8(13(18)19)7-17(10)12(16-11)9-3-1-2-6-15-9/h1-7H,(H,18,19)
InChIKeyNMVYOOYJIVOCJP-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-3-(4-methylphenyl)imidazo[1,5-a]pyridine-6-carboxylic acid
CID 117251411
1-chloro-3-(4-chlorophenyl)imidazo[1,5-a]pyridine-6-carboxylic acid
CID 117251414
3-(2-carboxyethyl)-1-chloroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 84743043
1-methyl-2-pyridin-2-ylbenzimidazole-5-carboxylic acid
CID 63892433
1-bromo-6-chloro-3-pyridin-2-ylimidazo[1,5-a]pyridine
CID 84744321
1-chloro-3-[2-(methylamino)ethyl]imidazo[1,5-a]pyridine-6-carboxylic acid
CID 84742150
1-chloro-3-pyridin-2-ylimidazo[1,5-a]pyridin-5-ol
CID 137005567
3-chloro-4-pyridin-2-ylbenzoic acid
CID 68948514
1-chloro-3-phenylimidazo[1,5-a]pyridine-7-carboxylic acid
CID 83870930
1-chloro-8-methyl-3-pyridin-2-ylimidazo[1,5-a]pyridine
CID 117252375
4-chloro-2-pyridin-2-ylpyrimidine-5-carboxylic acid
CID 28811995
1-bromo-6-methyl-3-pyridin-2-ylimidazo[1,5-a]pyridine
CID 84743704

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-pyridin-2-ylimidazo[1,5-a]pyridine-6-carboxylic acid?
The IUPAC name of 1-chloro-3-pyridin-2-ylimidazo[1,5-a]pyridine-6-carboxylic acid (CID 117251203) is 1-chloro-3-pyridin-2-ylimidazo[1,5-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 1-chloro-3-pyridin-2-ylimidazo[1,5-a]pyridine-6-carboxylic acid?
The canonical SMILES for 1-chloro-3-pyridin-2-ylimidazo[1,5-a]pyridine-6-carboxylic acid is O=C(O)c1ccc2c(Cl)nc(-c3ccccn3)n2c1.
What is the InChIKey of 1-chloro-3-pyridin-2-ylimidazo[1,5-a]pyridine-6-carboxylic acid?
The InChIKey is NMVYOOYJIVOCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O2/c14-11-10-5-4-8(13(18)19)7-17(10)12(16-11)9-3-1-2-6-15-9/h1-7H,(H,18,19).
What are the key properties of 1-chloro-3-pyridin-2-ylimidazo[1,5-a]pyridine-6-carboxylic acid?
1-chloro-3-pyridin-2-ylimidazo[1,5-a]pyridine-6-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-2-ylimidazo[1,5-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 117251203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).