5-bromo-2-chloropyridine-3-carboxamide;5-bromo-2-chloropyridine-3-carboxylic acid

C12H7Br2Cl2N3O3 — CID 167685517

IUPAC5-bromo-2-chloropyridine-3-carboxamide;5-bromo-2-chloropyridine-3-carboxylic acid
SMILESNC(=O)c1cc(Br)cnc1Cl.O=C(O)c1cc(Br)cnc1Cl
InChIInChI=1S/C6H4BrClN2O.C6H3BrClNO2/c7-3-1-4(6(9)11)5(8)10-2-3;7-3-1-4(6(10)11)5(8)9-2-3/h1-2H,(H2,9,11);1-2H,(H,10,11)
InChIKeyWDRKRZKPTXSIGT-UHFFFAOYSA-N
MW471.92 g/mol
LogP3.79
Rot. Bonds2

About 5-bromo-2-chloropyridine-3-carboxamide;5-bromo-2-chloropyridine-3-carboxylic acid

5-bromo-2-chloropyridine-3-carboxamide;5-bromo-2-chloropyridine-3-carboxylic acid (PubChem CID 167685517) has the molecular formula C12H7Br2Cl2N3O3 and a molecular weight of 471.92 g/mol. Its IUPAC name is 5-bromo-2-chloropyridine-3-carboxamide;5-bromo-2-chloropyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-chloropyridine-3-carboxamide;5-bromo-2-chloropyridine-3-carboxylic acid
PubChem CID167685517
Molecular FormulaC12H7Br2Cl2N3O3
Molecular Weight471.92 g/mol
Exact Mass468.82
IUPAC Name5-bromo-2-chloropyridine-3-carboxamide;5-bromo-2-chloropyridine-3-carboxylic acid
SMILESNC(=O)c1cc(Br)cnc1Cl.O=C(O)c1cc(Br)cnc1Cl
InChIInChI=1S/C6H4BrClN2O.C6H3BrClNO2/c7-3-1-4(6(9)11)5(8)10-2-3;7-3-1-4(6(10)11)5(8)9-2-3/h1-2H,(H2,9,11);1-2H,(H,10,11)
InChIKeyWDRKRZKPTXSIGT-UHFFFAOYSA-N
XLogP3.79
TPSA106.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.92
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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;5-bromo-2-chloropyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-2-chloropyridine-3-carboxamide;5-bromo-2-chloropyridine-3-carboxylic acid (CID 167685517) is 5-bromo-2-chloropyridine-3-carboxamide;5-bromo-2-chloropyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-2-chloropyridine-3-carboxamide;5-bromo-2-chloropyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-2-chloropyridine-3-carboxamide;5-bromo-2-chloropyridine-3-carboxylic acid is NC(=O)c1cc(Br)cnc1Cl.O=C(O)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloropyridine-3-carboxamide;5-bromo-2-chloropyridine-3-carboxylic acid?
The InChIKey is WDRKRZKPTXSIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrClN2O.C6H3BrClNO2/c7-3-1-4(6(9)11)5(8)10-2-3;7-3-1-4(6(10)11)5(8)9-2-3/h1-2H,(H2,9,11);1-2H,(H,10,11).
What are the key properties of 5-bromo-2-chloropyridine-3-carboxamide;5-bromo-2-chloropyridine-3-carboxylic acid?
5-bromo-2-chloropyridine-3-carboxamide;5-bromo-2-chloropyridine-3-carboxylic acid has a molecular weight of 471.92 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloropyridine-3-carboxamide;5-bromo-2-chloropyridine-3-carboxylic acid is sourced from PubChem (CID 167685517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).