5-bromo-2-chloropyridine-3-carboxamide

C6H4BrClN2O — CID 12629794

IUPAC5-bromo-2-chloropyridine-3-carboxamide
SMILESNC(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C6H4BrClN2O/c7-3-1-4(6(9)11)5(8)10-2-3/h1-2H,(H2,9,11)
InChIKeyNFUOTGWWIKJNQL-UHFFFAOYSA-N
MW235.47 g/mol
LogP1.60
Rot. Bonds1

About 5-bromo-2-chloropyridine-3-carboxamide

5-bromo-2-chloropyridine-3-carboxamide (PubChem CID 12629794) has the molecular formula C6H4BrClN2O and a molecular weight of 235.47 g/mol. Its IUPAC name is 5-bromo-2-chloropyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-chloropyridine-3-carboxamide
PubChem CID12629794
Molecular FormulaC6H4BrClN2O
Molecular Weight235.47 g/mol
Exact Mass233.92
IUPAC Name5-bromo-2-chloropyridine-3-carboxamide
SMILESNC(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C6H4BrClN2O/c7-3-1-4(6(9)11)5(8)10-2-3/h1-2H,(H2,9,11)
InChIKeyNFUOTGWWIKJNQL-UHFFFAOYSA-N
XLogP1.60
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.47
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloropyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-chloropyridine-3-carboxamide (CID 12629794) is 5-bromo-2-chloropyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-chloropyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-chloropyridine-3-carboxamide is NC(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloropyridine-3-carboxamide?
The InChIKey is NFUOTGWWIKJNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrClN2O/c7-3-1-4(6(9)11)5(8)10-2-3/h1-2H,(H2,9,11).
What are the key properties of 5-bromo-2-chloropyridine-3-carboxamide?
5-bromo-2-chloropyridine-3-carboxamide has a molecular weight of 235.47 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloropyridine-3-carboxamide is sourced from PubChem (CID 12629794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).