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

C13H10BrN3O4 — CID 107519279

IUPAC3-bromo-N-(4-methoxy-3-nitrophenyl)pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ncccc2Br)cc1[N+](=O)[O-]
InChIInChI=1S/C13H10BrN3O4/c1-21-11-5-4-8(7-10(11)17(19)20)16-13(18)12-9(14)3-2-6-15-12/h2-7H,1H3,(H,16,18)
InChIKeyLHHSSHPVCURRGH-UHFFFAOYSA-N
MW352.14 g/mol
LogP3.01
Rot. Bonds4

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

3-bromo-N-(4-methoxy-3-nitrophenyl)pyridine-2-carboxamide (PubChem CID 107519279) has the molecular formula C13H10BrN3O4 and a molecular weight of 352.14 g/mol. Its IUPAC name is 3-bromo-N-(4-methoxy-3-nitrophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(4-methoxy-3-nitrophenyl)pyridine-2-carboxamide
PubChem CID107519279
Molecular FormulaC13H10BrN3O4
Molecular Weight352.14 g/mol
Exact Mass350.99
IUPAC Name3-bromo-N-(4-methoxy-3-nitrophenyl)pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ncccc2Br)cc1[N+](=O)[O-]
InChIInChI=1S/C13H10BrN3O4/c1-21-11-5-4-8(7-10(11)17(19)20)16-13(18)12-9(14)3-2-6-15-12/h2-7H,1H3,(H,16,18)
InChIKeyLHHSSHPVCURRGH-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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromo-4-methoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 3533545
3-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 107517768
5-bromo-2-methoxy-N-(4-methoxy-3-nitrophenyl)benzamide
CID 2994913
N-(4-methoxy-3-nitrophenyl)pyrazine-2-carboxamide
CID 108796825
3,4,5-trimethoxy-N-(4-methoxy-3-nitrophenyl)benzamide
CID 17101962
3-bromo-N-(5-bromo-2-methoxyphenyl)pyridine-2-carboxamide
CID 107517604
3-bromo-N-(2,4-dimethyl-5-nitrophenyl)pyridine-2-carboxamide
CID 107519316
methyl 2-[(4-methoxy-3-nitrophenyl)carbamoyl]benzoate
CID 108785557
3-bromo-N-(3,4-dicyanophenyl)pyridine-2-carboxamide
CID 107791028
3-bromo-N-(4-hydroxy-2-nitrophenyl)pyridine-2-carboxamide
CID 107518199
N-(4-methoxy-3-nitrophenyl)-3-nitrobenzamide
CID 2307230
2-[(4-bromo-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 82859559

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-methoxy-3-nitrophenyl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(4-methoxy-3-nitrophenyl)pyridine-2-carboxamide (CID 107519279) is 3-bromo-N-(4-methoxy-3-nitrophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(4-methoxy-3-nitrophenyl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(4-methoxy-3-nitrophenyl)pyridine-2-carboxamide is COc1ccc(NC(=O)c2ncccc2Br)cc1[N+](=O)[O-].
What is the InChIKey of 3-bromo-N-(4-methoxy-3-nitrophenyl)pyridine-2-carboxamide?
The InChIKey is LHHSSHPVCURRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O4/c1-21-11-5-4-8(7-10(11)17(19)20)16-13(18)12-9(14)3-2-6-15-12/h2-7H,1H3,(H,16,18).
What are the key properties of 3-bromo-N-(4-methoxy-3-nitrophenyl)pyridine-2-carboxamide?
3-bromo-N-(4-methoxy-3-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 3-bromo-N-(4-methoxy-3-nitrophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 107519279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).