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

C12H8BrN3O3 — CID 114037408

IUPAC2-bromo-N-(2-nitrophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])c1ccnc(Br)c1
InChIInChI=1S/C12H8BrN3O3/c13-11-7-8(5-6-14-11)12(17)15-9-3-1-2-4-10(9)16(18)19/h1-7H,(H,15,17)
InChIKeyQIWIJGQABSUXAJ-UHFFFAOYSA-N
MW322.12 g/mol
LogP3.00
Rot. Bonds3

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

2-bromo-N-(2-nitrophenyl)pyridine-4-carboxamide (PubChem CID 114037408) has the molecular formula C12H8BrN3O3 and a molecular weight of 322.12 g/mol. Its IUPAC name is 2-bromo-N-(2-nitrophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(2-nitrophenyl)pyridine-4-carboxamide
PubChem CID114037408
Molecular FormulaC12H8BrN3O3
Molecular Weight322.12 g/mol
Exact Mass320.97
IUPAC Name2-bromo-N-(2-nitrophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])c1ccnc(Br)c1
InChIInChI=1S/C12H8BrN3O3/c13-11-7-8(5-6-14-11)12(17)15-9-3-1-2-4-10(9)16(18)19/h1-7H,(H,15,17)
InChIKeyQIWIJGQABSUXAJ-UHFFFAOYSA-N
XLogP3.00
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.12
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-bromo-N-(2-nitrophenyl)benzamide
CID 139086571
2-bromo-N-(3-fluoro-4-nitrophenyl)pyridine-4-carboxamide
CID 103852327
2-[2-[(2-bromopyridine-4-carbonyl)amino]phenyl]acetic acid
CID 103803916
2-bromo-N-(2-nitrophenyl)pyridin-4-amine
CID 151479059
2-bromo-N-[2-(dimethylamino)phenyl]pyridine-4-carboxamide
CID 103752344
3-bromo-5-chloro-N-(2-nitrophenyl)benzamide
CID 107951960
4-iodo-N-(2-nitrophenyl)benzamide
CID 2889506
N-(2-bromo-3-pyridinyl)-4-methyl-3-nitrobenzamide
CID 103819140
2-bromo-N-(2-ethylsulfonylphenyl)pyridine-4-carboxamide
CID 103758980
2-bromo-N-quinolin-5-ylpyridine-4-carboxamide
CID 103751909
2-bromo-N-(2-thiophen-2-ylphenyl)pyridine-4-carboxamide
CID 103754168
2,4-dibromo-N-(2-nitrophenyl)benzamide
CID 107951959

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-nitrophenyl)pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-(2-nitrophenyl)pyridine-4-carboxamide (CID 114037408) is 2-bromo-N-(2-nitrophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-(2-nitrophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-(2-nitrophenyl)pyridine-4-carboxamide is O=C(Nc1ccccc1[N+](=O)[O-])c1ccnc(Br)c1.
What is the InChIKey of 2-bromo-N-(2-nitrophenyl)pyridine-4-carboxamide?
The InChIKey is QIWIJGQABSUXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3O3/c13-11-7-8(5-6-14-11)12(17)15-9-3-1-2-4-10(9)16(18)19/h1-7H,(H,15,17).
What are the key properties of 2-bromo-N-(2-nitrophenyl)pyridine-4-carboxamide?
2-bromo-N-(2-nitrophenyl)pyridine-4-carboxamide has a molecular weight of 322.12 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-nitrophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 114037408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).