3-bromo-N-(4-hydroxy-2-nitrophenyl)pyridine-2-carboxamide

C12H8BrN3O4 — CID 107518199

IUPAC3-bromo-N-(4-hydroxy-2-nitrophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(O)cc1[N+](=O)[O-])c1ncccc1Br
InChIInChI=1S/C12H8BrN3O4/c13-8-2-1-5-14-11(8)12(18)15-9-4-3-7(17)6-10(9)16(19)20/h1-6,17H,(H,15,18)
InChIKeyHMWKQEGVKFRVGL-UHFFFAOYSA-N
MW338.12 g/mol
LogP2.71
Rot. Bonds3

About 3-bromo-N-(4-hydroxy-2-nitrophenyl)pyridine-2-carboxamide

3-bromo-N-(4-hydroxy-2-nitrophenyl)pyridine-2-carboxamide (PubChem CID 107518199) has the molecular formula C12H8BrN3O4 and a molecular weight of 338.12 g/mol. Its IUPAC name is 3-bromo-N-(4-hydroxy-2-nitrophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(4-hydroxy-2-nitrophenyl)pyridine-2-carboxamide
PubChem CID107518199
Molecular FormulaC12H8BrN3O4
Molecular Weight338.12 g/mol
Exact Mass336.97
IUPAC Name3-bromo-N-(4-hydroxy-2-nitrophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(O)cc1[N+](=O)[O-])c1ncccc1Br
InChIInChI=1S/C12H8BrN3O4/c13-8-2-1-5-14-11(8)12(18)15-9-4-3-7(17)6-10(9)16(19)20/h1-6,17H,(H,15,18)
InChIKeyHMWKQEGVKFRVGL-UHFFFAOYSA-N
XLogP2.71
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.12
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'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-(2,4-dimethyl-5-nitrophenyl)pyridine-2-carboxamide
CID 107519316
3-bromo-N-(2-bromo-5-nitrophenyl)pyridine-2-carboxamide
CID 107519192
3-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-2-carboxamide
CID 107519314
4-bromo-N-(4-hydroxy-2-nitrophenyl)benzamide
CID 60954513
3-bromo-N-(4-methoxy-3-nitrophenyl)pyridine-2-carboxamide
CID 107519279
2-bromo-4-fluoro-N-(4-hydroxy-2-nitrophenyl)benzamide
CID 60954645
2-bromo-4-chloro-N-(4-hydroxy-2-nitrophenyl)benzamide
CID 107988108
2,6-dichloro-N-(4-hydroxy-2-nitrophenyl)pyridine-4-carboxamide
CID 61041536
N-(4-amino-2-chlorophenyl)-3-bromopyridine-2-carboxamide
CID 107516836
3-amino-N-(4-hydroxy-2-nitrophenyl)benzamide
CID 43695956
N-(4-hydroxy-2-nitrophenyl)-1H-pyrazole-4-carboxamide
CID 61259784
3-bromo-N-[4-(dimethylamino)-2-methylphenyl]pyridine-2-carboxamide
CID 107518241

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-hydroxy-2-nitrophenyl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(4-hydroxy-2-nitrophenyl)pyridine-2-carboxamide (CID 107518199) is 3-bromo-N-(4-hydroxy-2-nitrophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(4-hydroxy-2-nitrophenyl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(4-hydroxy-2-nitrophenyl)pyridine-2-carboxamide is O=C(Nc1ccc(O)cc1[N+](=O)[O-])c1ncccc1Br.
What is the InChIKey of 3-bromo-N-(4-hydroxy-2-nitrophenyl)pyridine-2-carboxamide?
The InChIKey is HMWKQEGVKFRVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3O4/c13-8-2-1-5-14-11(8)12(18)15-9-4-3-7(17)6-10(9)16(19)20/h1-6,17H,(H,15,18).
What are the key properties of 3-bromo-N-(4-hydroxy-2-nitrophenyl)pyridine-2-carboxamide?
3-bromo-N-(4-hydroxy-2-nitrophenyl)pyridine-2-carboxamide has a molecular weight of 338.12 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-hydroxy-2-nitrophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 107518199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).