imidazo[1,2-a]pyridine-2-carbonyl chloride

C8H5ClN2O — CID 87400951

IUPACimidazo[1,2-a]pyridine-2-carbonyl chloride
SMILESO=C(Cl)c1cn2ccccc2n1
InChIInChI=1S/C8H5ClN2O/c9-8(12)6-5-11-4-2-1-3-7(11)10-6/h1-5H
InChIKeyLMBNDFNZHRTBQS-UHFFFAOYSA-N
MW180.59 g/mol
LogP1.71
Rot. Bonds1

About imidazo[1,2-a]pyridine-2-carbonyl chloride

imidazo[1,2-a]pyridine-2-carbonyl chloride (PubChem CID 87400951) has the molecular formula C8H5ClN2O and a molecular weight of 180.59 g/mol. Its IUPAC name is imidazo[1,2-a]pyridine-2-carbonyl chloride.

Molecular Properties

Compound Nameimidazo[1,2-a]pyridine-2-carbonyl chloride
PubChem CID87400951
Molecular FormulaC8H5ClN2O
Molecular Weight180.59 g/mol
Exact Mass180.01
IUPAC Nameimidazo[1,2-a]pyridine-2-carbonyl chloride
SMILESO=C(Cl)c1cn2ccccc2n1
InChIInChI=1S/C8H5ClN2O/c9-8(12)6-5-11-4-2-1-3-7(11)10-6/h1-5H
InChIKeyLMBNDFNZHRTBQS-UHFFFAOYSA-N
XLogP1.71
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.59
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

1-imidazo[1,2-a]pyridin-2-ylethanone
CID 11194486
imidazo[1,2-a]pyridin-2-yl(phenyl)methanone
CID 14601288
imidazo[1,2-a]pyridine-2-carboxylic acid;bis(2,2,2-trifluoroacetic acid)
CID 159608487
N-methoxyimidazo[1,2-a]pyridine-2-carboxamide
CID 60716999
cyclopropyl imidazo[1,2-a]pyridine-2-carboxylate
CID 165133317
N-(aminomethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 66612183
N-[4-(imidazo[1,2-a]pyridine-2-carbonylamino)cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 171722185
N-[(3-hydroxycyclobutyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 66005188
butyl imidazo[1,2-a]pyridine-2-carboxylate
CID 112724658
2-(imidazo[1,2-a]pyridine-2-carbonylamino)propanoic acid
CID 43170854
2-(3,3,3-trifluoroprop-1-en-2-yl)imidazo[1,2-a]pyridine
CID 175690845
N-(3-acetylphenyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 18079676

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyridine-2-carbonyl chloride?
The IUPAC name of imidazo[1,2-a]pyridine-2-carbonyl chloride (CID 87400951) is imidazo[1,2-a]pyridine-2-carbonyl chloride.
What is the SMILES notation for imidazo[1,2-a]pyridine-2-carbonyl chloride?
The canonical SMILES for imidazo[1,2-a]pyridine-2-carbonyl chloride is O=C(Cl)c1cn2ccccc2n1.
What is the InChIKey of imidazo[1,2-a]pyridine-2-carbonyl chloride?
The InChIKey is LMBNDFNZHRTBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O/c9-8(12)6-5-11-4-2-1-3-7(11)10-6/h1-5H.
What are the key properties of imidazo[1,2-a]pyridine-2-carbonyl chloride?
imidazo[1,2-a]pyridine-2-carbonyl chloride has a molecular weight of 180.59 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyridine-2-carbonyl chloride is sourced from PubChem (CID 87400951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).