5-amino-N-(3-bromo-4-nitrophenyl)pyridine-2-carboxamide

C12H9BrN4O3 — CID 82865202

IUPAC5-amino-N-(3-bromo-4-nitrophenyl)pyridine-2-carboxamide
SMILESNc1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)nc1
InChIInChI=1S/C12H9BrN4O3/c13-9-5-8(2-4-11(9)17(19)20)16-12(18)10-3-1-7(14)6-15-10/h1-6H,14H2,(H,16,18)
InChIKeyAQLOHKMRVNGTSK-UHFFFAOYSA-N
MW337.13 g/mol
LogP2.59
Rot. Bonds3

About 5-amino-N-(3-bromo-4-nitrophenyl)pyridine-2-carboxamide

5-amino-N-(3-bromo-4-nitrophenyl)pyridine-2-carboxamide (PubChem CID 82865202) has the molecular formula C12H9BrN4O3 and a molecular weight of 337.13 g/mol. Its IUPAC name is 5-amino-N-(3-bromo-4-nitrophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3-bromo-4-nitrophenyl)pyridine-2-carboxamide
PubChem CID82865202
Molecular FormulaC12H9BrN4O3
Molecular Weight337.13 g/mol
Exact Mass335.99
IUPAC Name5-amino-N-(3-bromo-4-nitrophenyl)pyridine-2-carboxamide
SMILESNc1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)nc1
InChIInChI=1S/C12H9BrN4O3/c13-9-5-8(2-4-11(9)17(19)20)16-12(18)10-3-1-7(14)6-15-10/h1-6H,14H2,(H,16,18)
InChIKeyAQLOHKMRVNGTSK-UHFFFAOYSA-N
XLogP2.59
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.13
LogP ≤ 52.59
H-Bond Donors ≤ 52
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-(4-bromo-3-nitrophenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104641755
3-amino-N-(3-bromo-4-nitrophenyl)benzamide
CID 82864982
6-amino-N-(4-bromo-3-nitrophenyl)pyridazine-3-carboxamide
CID 79767632
N-(3-bromo-4-nitrophenyl)-6-fluoropyridine-3-carboxamide
CID 82864244
N-(3-bromo-4-nitrophenyl)-3-chloropyridine-4-carboxamide
CID 82864701
2-N,5-N-bis(3-chloro-4-nitrophenyl)pyridine-2,5-dicarboxamide
CID 4294395
N-(3-bromo-4-nitrophenyl)-5-hydroxypyridine-3-carboxamide
CID 82864638
2-bromo-N-(3-bromo-4-nitrophenyl)pyridine-3-carboxamide
CID 103931944
N-(4-acetamidophenyl)-5-aminopyridine-2-carboxamide
CID 81319300
5-amino-N-(3-bromo-4-fluorophenyl)-2-nitrobenzamide
CID 104781598
5-chloro-N-(3-fluoro-4-nitrophenyl)pyrazine-2-carboxamide
CID 107372132
(2S)-2-amino-N-(3-bromo-4-nitrophenyl)propanamide
CID 82864467

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-bromo-4-nitrophenyl)pyridine-2-carboxamide?
The IUPAC name of 5-amino-N-(3-bromo-4-nitrophenyl)pyridine-2-carboxamide (CID 82865202) is 5-amino-N-(3-bromo-4-nitrophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-N-(3-bromo-4-nitrophenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-amino-N-(3-bromo-4-nitrophenyl)pyridine-2-carboxamide is Nc1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)nc1.
What is the InChIKey of 5-amino-N-(3-bromo-4-nitrophenyl)pyridine-2-carboxamide?
The InChIKey is AQLOHKMRVNGTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4O3/c13-9-5-8(2-4-11(9)17(19)20)16-12(18)10-3-1-7(14)6-15-10/h1-6H,14H2,(H,16,18).
What are the key properties of 5-amino-N-(3-bromo-4-nitrophenyl)pyridine-2-carboxamide?
5-amino-N-(3-bromo-4-nitrophenyl)pyridine-2-carboxamide has a molecular weight of 337.13 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-bromo-4-nitrophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 82865202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).