N-(2-bromo-4-nitrophenyl)-4-chloropyridine-3-carboxamide

C12H7BrClN3O3 — CID 81226714

IUPACN-(2-bromo-4-nitrophenyl)-4-chloropyridine-3-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1Br)c1cnccc1Cl
InChIInChI=1S/C12H7BrClN3O3/c13-9-5-7(17(19)20)1-2-11(9)16-12(18)8-6-15-4-3-10(8)14/h1-6H,(H,16,18)
InChIKeyOOODEHKIJCZFLF-UHFFFAOYSA-N
MW356.56 g/mol
LogP3.66
Rot. Bonds3

About N-(2-bromo-4-nitrophenyl)-4-chloropyridine-3-carboxamide

N-(2-bromo-4-nitrophenyl)-4-chloropyridine-3-carboxamide (PubChem CID 81226714) has the molecular formula C12H7BrClN3O3 and a molecular weight of 356.56 g/mol. Its IUPAC name is N-(2-bromo-4-nitrophenyl)-4-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-nitrophenyl)-4-chloropyridine-3-carboxamide
PubChem CID81226714
Molecular FormulaC12H7BrClN3O3
Molecular Weight356.56 g/mol
Exact Mass354.94
IUPAC NameN-(2-bromo-4-nitrophenyl)-4-chloropyridine-3-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1Br)c1cnccc1Cl
InChIInChI=1S/C12H7BrClN3O3/c13-9-5-7(17(19)20)1-2-11(9)16-12(18)8-6-15-4-3-10(8)14/h1-6H,(H,16,18)
InChIKeyOOODEHKIJCZFLF-UHFFFAOYSA-N
XLogP3.66
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.56
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-bromo-N-(2-bromo-4-nitrophenyl)-4-chlorobenzamide
CID 107988092
2-bromo-N-(2-bromo-4-chlorophenyl)-5-nitrobenzamide
CID 81027167
4-chloro-N-(4-methyl-2-nitrophenyl)pyridine-3-carboxamide
CID 81227319
2,3-dichloro-N-(4-chloro-3-pyridinyl)-5-nitrobenzamide
CID 107189329
N-(2-bromo-5-chlorophenyl)-4-chloropyridine-3-carboxamide
CID 81263935
2-bromo-N-(2-bromo-4-nitrophenyl)-5-methylbenzamide
CID 81109764
N-(2-bromo-4-nitrophenyl)-5-hydrazinylpyridine-2-carboxamide
CID 107810328
2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
CID 4594592
N-(2-chloro-4-nitrophenyl)pyridine-3-carboxamide
CID 2850411
N-(3-bromo-4-nitrophenyl)-3-chloropyridine-4-carboxamide
CID 82864701
6-amino-N-(2-bromo-4-nitrophenyl)pyridazine-3-carboxamide
CID 107810243
N-(2-bromo-4-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide
CID 107810326

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-nitrophenyl)-4-chloropyridine-3-carboxamide?
The IUPAC name of N-(2-bromo-4-nitrophenyl)-4-chloropyridine-3-carboxamide (CID 81226714) is N-(2-bromo-4-nitrophenyl)-4-chloropyridine-3-carboxamide.
What is the SMILES notation for N-(2-bromo-4-nitrophenyl)-4-chloropyridine-3-carboxamide?
The canonical SMILES for N-(2-bromo-4-nitrophenyl)-4-chloropyridine-3-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1Br)c1cnccc1Cl.
What is the InChIKey of N-(2-bromo-4-nitrophenyl)-4-chloropyridine-3-carboxamide?
The InChIKey is OOODEHKIJCZFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClN3O3/c13-9-5-7(17(19)20)1-2-11(9)16-12(18)8-6-15-4-3-10(8)14/h1-6H,(H,16,18).
What are the key properties of N-(2-bromo-4-nitrophenyl)-4-chloropyridine-3-carboxamide?
N-(2-bromo-4-nitrophenyl)-4-chloropyridine-3-carboxamide has a molecular weight of 356.56 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-nitrophenyl)-4-chloropyridine-3-carboxamide is sourced from PubChem (CID 81226714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).