3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-oxopropanoic acid

C10H7ClN2O3 — CID 170887196

IUPAC3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-oxopropanoic acid
SMILESO=C(O)CC(=O)c1cn2cc(Cl)ccc2n1
InChIInChI=1S/C10H7ClN2O3/c11-6-1-2-9-12-7(5-13(9)4-6)8(14)3-10(15)16/h1-2,4-5H,3H2,(H,15,16)
InChIKeyKIIVUIWKPFLKEB-UHFFFAOYSA-N
MW238.63 g/mol
LogP1.65
Rot. Bonds3

About 3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-oxopropanoic acid

3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-oxopropanoic acid (PubChem CID 170887196) has the molecular formula C10H7ClN2O3 and a molecular weight of 238.63 g/mol. Its IUPAC name is 3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-oxopropanoic acid.

Molecular Properties

Compound Name3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-oxopropanoic acid
PubChem CID170887196
Molecular FormulaC10H7ClN2O3
Molecular Weight238.63 g/mol
Exact Mass238.01
IUPAC Name3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-oxopropanoic acid
SMILESO=C(O)CC(=O)c1cn2cc(Cl)ccc2n1
InChIInChI=1S/C10H7ClN2O3/c11-6-1-2-9-12-7(5-13(9)4-6)8(14)3-10(15)16/h1-2,4-5H,3H2,(H,15,16)
InChIKeyKIIVUIWKPFLKEB-UHFFFAOYSA-N
XLogP1.65
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.63
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(cyanomethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 42536764
ethyl 6-chloroimidazo[1,2-a]pyridine-2-carboxylate;hydrobromide
CID 17389574
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetic acid
CID 4262836
6-chloro-N-(2-piperidin-1-ylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 87051345
methyl 4-[(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)amino]benzoate
CID 42536775
N-[(4-chlorophenyl)methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 53014872
6-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 45237342
6-chloro-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 28823587
6-chloro-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 95388376
ethyl 4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazine-1-carboxylate
CID 42536529
6-(4-chlorophenyl)-N-(cyclopropylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 42690096
2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]acetic acid
CID 43521849

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-oxopropanoic acid?
The IUPAC name of 3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-oxopropanoic acid (CID 170887196) is 3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-oxopropanoic acid.
What is the SMILES notation for 3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-oxopropanoic acid?
The canonical SMILES for 3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-oxopropanoic acid is O=C(O)CC(=O)c1cn2cc(Cl)ccc2n1.
What is the InChIKey of 3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-oxopropanoic acid?
The InChIKey is KIIVUIWKPFLKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O3/c11-6-1-2-9-12-7(5-13(9)4-6)8(14)3-10(15)16/h1-2,4-5H,3H2,(H,15,16).
What are the key properties of 3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-oxopropanoic acid?
3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-oxopropanoic acid has a molecular weight of 238.63 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-oxopropanoic acid is sourced from PubChem (CID 170887196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).