6-bromo-N-(4-methoxy-2-nitrophenyl)pyridine-2-carboxamide

C13H10BrN3O4 — CID 103889560

IUPAC6-bromo-N-(4-methoxy-2-nitrophenyl)pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cccc(Br)n2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H10BrN3O4/c1-21-8-5-6-9(11(7-8)17(19)20)16-13(18)10-3-2-4-12(14)15-10/h2-7H,1H3,(H,16,18)
InChIKeyMUBGHENRVFCIDF-UHFFFAOYSA-N
MW352.14 g/mol
LogP3.01
Rot. Bonds4

About 6-bromo-N-(4-methoxy-2-nitrophenyl)pyridine-2-carboxamide

6-bromo-N-(4-methoxy-2-nitrophenyl)pyridine-2-carboxamide (PubChem CID 103889560) has the molecular formula C13H10BrN3O4 and a molecular weight of 352.14 g/mol. Its IUPAC name is 6-bromo-N-(4-methoxy-2-nitrophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(4-methoxy-2-nitrophenyl)pyridine-2-carboxamide
PubChem CID103889560
Molecular FormulaC13H10BrN3O4
Molecular Weight352.14 g/mol
Exact Mass350.99
IUPAC Name6-bromo-N-(4-methoxy-2-nitrophenyl)pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cccc(Br)n2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H10BrN3O4/c1-21-8-5-6-9(11(7-8)17(19)20)16-13(18)10-3-2-4-12(14)15-10/h2-7H,1H3,(H,16,18)
InChIKeyMUBGHENRVFCIDF-UHFFFAOYSA-N
XLogP3.01
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.14
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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

2-N,6-N-bis(4-methoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide
CID 3620305
2-N,6-N-bis(4-ethoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide
CID 4079901
4-bromo-N-(4-methoxy-2-nitrophenyl)benzamide
CID 2828426
2-chloro-N-(4-methoxy-2-nitrophenyl)benzamide
CID 3101364
2-hydroxy-N-(4-methoxy-2-nitrophenyl)benzamide
CID 2798189
3-methoxy-N-(4-methoxy-2-nitrophenyl)naphthalene-2-carboxamide
CID 3539530
6-bromo-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 103874074
N-(4-methoxy-2-nitrophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 19242142
4,5-dibromo-N-(4-methoxy-2-nitrophenyl)thiophene-2-carboxamide
CID 19205153
1-ethyl-N-(4-methoxy-2-nitrophenyl)pyrazole-3-carboxamide
CID 19262186
4-bromo-N-(4-methoxy-2-nitrophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 19480358
4-chloro-N-(4-methoxy-2-nitrophenyl)-3-nitrobenzamide
CID 3101370

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(4-methoxy-2-nitrophenyl)pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-(4-methoxy-2-nitrophenyl)pyridine-2-carboxamide (CID 103889560) is 6-bromo-N-(4-methoxy-2-nitrophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(4-methoxy-2-nitrophenyl)pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-(4-methoxy-2-nitrophenyl)pyridine-2-carboxamide is COc1ccc(NC(=O)c2cccc(Br)n2)c([N+](=O)[O-])c1.
What is the InChIKey of 6-bromo-N-(4-methoxy-2-nitrophenyl)pyridine-2-carboxamide?
The InChIKey is MUBGHENRVFCIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O4/c1-21-8-5-6-9(11(7-8)17(19)20)16-13(18)10-3-2-4-12(14)15-10/h2-7H,1H3,(H,16,18).
What are the key properties of 6-bromo-N-(4-methoxy-2-nitrophenyl)pyridine-2-carboxamide?
6-bromo-N-(4-methoxy-2-nitrophenyl)pyridine-2-carboxamide has a molecular weight of 352.14 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(4-methoxy-2-nitrophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 103889560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).