2-Chloro-4-[(1,2-dimethyl-1H-imidazol-4-yl)ethynyl]pyridine

HCID 59657979

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Basic information

CAS: 824431-83-6
Standard SMILES: Cc1nc(C#Cc2ccnc(Cl)c2)cn1C
InChIKey: ISKITBHXPMIRAV-UHFFFAOYSA-N
Molecular formula: C12H10ClN3
Average molar mass: 231.68 g/mol
Monoisotopic mass: 231.056325

Names & identifiers

Preferred name: 2-Chloro-4-[(1,2-dimethyl-1H-imidazol-4-yl)ethynyl]pyridine
IUPAC: 2-chloro-4-[2-(1,2-dimethylimidazol-4-yl)ethynyl]pyridine

Names & synonyms

824431-83-6SCHEMBL5045983DTXSID80732610ISKITBHXPMIRAV-UHFFFAOYSA-N2-Chloro-4-[(1,2-dimethyl-1H-imidazol-4-yl)ethynyl]pyridine2-Chloro-4-(1,2-dimethyl-1H-imidazol-4-ylethynyl)-pyridine

Database identifiers

CAS: 824431-83-6
PubChem CID: 59657979
DTXSID: DTXSID80732610

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 30.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 306

Related reactions

2 records

New reaction record

HRID 8873As productuspto-grants-2006_08

HRID 2349848As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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