N-(5-bromo-2-nitrophenyl)-2-chloropyridine-3-carboxamide

C12H7BrClN3O3 — CID 121379869

IUPACN-(5-bromo-2-nitrophenyl)-2-chloropyridine-3-carboxamide
SMILESO=C(Nc1cc(Br)ccc1[N+](=O)[O-])c1cccnc1Cl
InChIInChI=1S/C12H7BrClN3O3/c13-7-3-4-10(17(19)20)9(6-7)16-12(18)8-2-1-5-15-11(8)14/h1-6H,(H,16,18)
InChIKeyVFDUUEIZEUOSLA-UHFFFAOYSA-N
MW356.56 g/mol
LogP3.66
Rot. Bonds3

About N-(5-bromo-2-nitrophenyl)-2-chloropyridine-3-carboxamide

N-(5-bromo-2-nitrophenyl)-2-chloropyridine-3-carboxamide (PubChem CID 121379869) has the molecular formula C12H7BrClN3O3 and a molecular weight of 356.56 g/mol. Its IUPAC name is N-(5-bromo-2-nitrophenyl)-2-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-nitrophenyl)-2-chloropyridine-3-carboxamide
PubChem CID121379869
Molecular FormulaC12H7BrClN3O3
Molecular Weight356.56 g/mol
Exact Mass354.94
IUPAC NameN-(5-bromo-2-nitrophenyl)-2-chloropyridine-3-carboxamide
SMILESO=C(Nc1cc(Br)ccc1[N+](=O)[O-])c1cccnc1Cl
InChIInChI=1S/C12H7BrClN3O3/c13-7-3-4-10(17(19)20)9(6-7)16-12(18)8-2-1-5-15-11(8)14/h1-6H,(H,16,18)
InChIKeyVFDUUEIZEUOSLA-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': '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-chloro-N-(4-cyano-2-nitrophenyl)pyridine-3-carboxamide
CID 78965092
2-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-3-carboxamide
CID 17102197
2-chloro-N-(3-methyl-4-nitrophenyl)pyridine-3-carboxamide
CID 60722571
N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloropyridine-3-carboxamide
CID 60790795
2-chloro-N-(2-chloro-3-pyridinyl)-3-nitrobenzamide
CID 115930967
2-chloro-N-(2-fluoro-5-nitrophenyl)pyridine-3-carboxamide
CID 17102140
N-(4-bromophenyl)-2-chloropyridine-3-carboxamide
CID 4604195
N-(2-bromo-4-chlorophenyl)-2-chloropyridine-3-carboxamide
CID 81027409
2-amino-N-(5-bromo-2-chlorophenyl)-3-nitrobenzamide
CID 115678920
2-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide
CID 4525624
3-chloro-N-(2-chloro-3-pyridinyl)-4-nitrobenzamide
CID 821596
4-chloro-N-(2-chloro-3-pyridinyl)-3,5-dinitrobenzamide
CID 4549997

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-nitrophenyl)-2-chloropyridine-3-carboxamide?
The IUPAC name of N-(5-bromo-2-nitrophenyl)-2-chloropyridine-3-carboxamide (CID 121379869) is N-(5-bromo-2-nitrophenyl)-2-chloropyridine-3-carboxamide.
What is the SMILES notation for N-(5-bromo-2-nitrophenyl)-2-chloropyridine-3-carboxamide?
The canonical SMILES for N-(5-bromo-2-nitrophenyl)-2-chloropyridine-3-carboxamide is O=C(Nc1cc(Br)ccc1[N+](=O)[O-])c1cccnc1Cl.
What is the InChIKey of N-(5-bromo-2-nitrophenyl)-2-chloropyridine-3-carboxamide?
The InChIKey is VFDUUEIZEUOSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClN3O3/c13-7-3-4-10(17(19)20)9(6-7)16-12(18)8-2-1-5-15-11(8)14/h1-6H,(H,16,18).
What are the key properties of N-(5-bromo-2-nitrophenyl)-2-chloropyridine-3-carboxamide?
N-(5-bromo-2-nitrophenyl)-2-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-(5-bromo-2-nitrophenyl)-2-chloropyridine-3-carboxamide is sourced from PubChem (CID 121379869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).