2-chloro-N-(5-chloro-2-nitrophenyl)pyridine-3-carboxamide

HCID 2800548

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Basic information

CAS: 680217-75-8
Standard SMILES: O=C(Nc1cc(Cl)ccc1[N+](=O)[O-])c1cccnc1Cl
InChIKey: MKXRQRLNQUUVCW-UHFFFAOYSA-N
Molecular formula: C12H7Cl2N3O3
Average molar mass: 312.1 g/mol
Monoisotopic mass: 310.9864465

Names & identifiers

Preferred name: 2-chloro-N-(5-chloro-2-nitrophenyl)pyridine-3-carboxamide
IUPAC: 2-chloro-N-(5-chloro-2-nitrophenyl)pyridine-3-carboxamide

Names & synonyms

680217-75-83-Pyridinecarboxamide, 2-chloro-N-(5-chloro-2-nitrophenyl)-2-Chloro-N-(5-chloro-2-nitrophenyl)-3-pyridinecarboxamide2-chloro-N-(5-chloro-2-nitrophenyl)pyridine-3-carboxamideDTXSID701195394AKOS008971237DB-423285

Database identifiers

CAS: 680217-75-8
PubChem CID: 2800548
DTXSID: DTXSID701195394

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 87.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 20
Formal charge: 0
Complexity: 377

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