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

C12H7Br2N3O3 — CID 107519192

IUPAC3-bromo-N-(2-bromo-5-nitrophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1Br)c1ncccc1Br
InChIInChI=1S/C12H7Br2N3O3/c13-8-4-3-7(17(19)20)6-10(8)16-12(18)11-9(14)2-1-5-15-11/h1-6H,(H,16,18)
InChIKeyQLCITTPMGLENEM-UHFFFAOYSA-N
MW401.01 g/mol
LogP3.77
Rot. Bonds3

About 3-bromo-N-(2-bromo-5-nitrophenyl)pyridine-2-carboxamide

3-bromo-N-(2-bromo-5-nitrophenyl)pyridine-2-carboxamide (PubChem CID 107519192) has the molecular formula C12H7Br2N3O3 and a molecular weight of 401.01 g/mol. Its IUPAC name is 3-bromo-N-(2-bromo-5-nitrophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(2-bromo-5-nitrophenyl)pyridine-2-carboxamide
PubChem CID107519192
Molecular FormulaC12H7Br2N3O3
Molecular Weight401.01 g/mol
Exact Mass398.89
IUPAC Name3-bromo-N-(2-bromo-5-nitrophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1Br)c1ncccc1Br
InChIInChI=1S/C12H7Br2N3O3/c13-8-4-3-7(17(19)20)6-10(8)16-12(18)11-9(14)2-1-5-15-11/h1-6H,(H,16,18)
InChIKeyQLCITTPMGLENEM-UHFFFAOYSA-N
XLogP3.77
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.01
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-(4-hydroxy-2-nitrophenyl)pyridine-2-carboxamide
CID 107518199
3-bromo-N-(2,4-dimethyl-5-nitrophenyl)pyridine-2-carboxamide
CID 107519316
N-(2-hydroxy-5-nitrophenyl)-3-methylpyridine-2-carboxamide
CID 103894425
3-amino-N-(2-methyl-5-nitrophenyl)pyridine-2-carboxamide
CID 104741301
3-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-2-carboxamide
CID 107519314
N-(2,5-dibromophenyl)-3-hydroxypyridine-2-carboxamide
CID 54955142
N-(2-bromo-5-nitrophenyl)-2,3-difluorobenzamide
CID 81495048
2-bromo-N-(2-bromo-5-nitrophenyl)-4-chlorobenzamide
CID 107988324
2-bromo-N-(2-bromo-5-nitrophenyl)furan-3-carboxamide
CID 106854180
3-bromo-N-(4-methoxy-3-nitrophenyl)pyridine-2-carboxamide
CID 107519279
N-(2-bromo-3-pyridinyl)-2-fluoro-4-nitrobenzamide
CID 103819257
N-(4-amino-2,5-dimethylphenyl)-3-bromopyridine-2-carboxamide
CID 107516937

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-bromo-5-nitrophenyl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(2-bromo-5-nitrophenyl)pyridine-2-carboxamide (CID 107519192) is 3-bromo-N-(2-bromo-5-nitrophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(2-bromo-5-nitrophenyl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(2-bromo-5-nitrophenyl)pyridine-2-carboxamide is O=C(Nc1cc([N+](=O)[O-])ccc1Br)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-(2-bromo-5-nitrophenyl)pyridine-2-carboxamide?
The InChIKey is QLCITTPMGLENEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2N3O3/c13-8-4-3-7(17(19)20)6-10(8)16-12(18)11-9(14)2-1-5-15-11/h1-6H,(H,16,18).
What are the key properties of 3-bromo-N-(2-bromo-5-nitrophenyl)pyridine-2-carboxamide?
3-bromo-N-(2-bromo-5-nitrophenyl)pyridine-2-carboxamide has a molecular weight of 401.01 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-bromo-5-nitrophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 107519192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).