6-bromo-N-(3-fluoro-5-nitrophenyl)pyridine-3-carboxamide

C12H7BrFN3O3 — CID 107334878

IUPAC6-bromo-N-(3-fluoro-5-nitrophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1ccc(Br)nc1
InChIInChI=1S/C12H7BrFN3O3/c13-11-2-1-7(6-15-11)12(18)16-9-3-8(14)4-10(5-9)17(19)20/h1-6H,(H,16,18)
InChIKeyKUOOGTQCWVKJLN-UHFFFAOYSA-N
MW340.11 g/mol
LogP3.14
Rot. Bonds3

About 6-bromo-N-(3-fluoro-5-nitrophenyl)pyridine-3-carboxamide

6-bromo-N-(3-fluoro-5-nitrophenyl)pyridine-3-carboxamide (PubChem CID 107334878) has the molecular formula C12H7BrFN3O3 and a molecular weight of 340.11 g/mol. Its IUPAC name is 6-bromo-N-(3-fluoro-5-nitrophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(3-fluoro-5-nitrophenyl)pyridine-3-carboxamide
PubChem CID107334878
Molecular FormulaC12H7BrFN3O3
Molecular Weight340.11 g/mol
Exact Mass338.97
IUPAC Name6-bromo-N-(3-fluoro-5-nitrophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1ccc(Br)nc1
InChIInChI=1S/C12H7BrFN3O3/c13-11-2-1-7(6-15-11)12(18)16-9-3-8(14)4-10(5-9)17(19)20/h1-6H,(H,16,18)
InChIKeyKUOOGTQCWVKJLN-UHFFFAOYSA-N
XLogP3.14
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.11
LogP ≤ 53.14
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

N-(3-fluoro-5-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide
CID 107335632
4-bromo-3-chloro-N-(3-fluoro-5-nitrophenyl)benzamide
CID 107335305
6-bromo-N-(2,4-difluoro-6-nitrophenyl)pyridine-3-carboxamide
CID 81306494
4-(chloromethyl)-N-(3-fluoro-5-nitrophenyl)benzamide
CID 107334780
4-fluoro-N-(3-fluoro-5-nitrophenyl)-3-methylbenzamide
CID 107334858
5-amino-N-(3-fluoro-5-nitrophenyl)pyrazine-2-carboxamide
CID 107377381
6-bromo-N-(3,4-difluorophenyl)pyridine-3-carboxamide
CID 66462669
6-bromo-N-(3-bromo-4-fluorophenyl)pyridine-3-carboxamide
CID 115669904
3-fluoro-N-(3-fluoro-5-nitrophenyl)pyridine-4-carboxamide
CID 107334867
N-(6-bromo-3-pyridinyl)-4-fluorobenzamide
CID 44602373
N-(3-chloro-5-fluorophenyl)-4-nitrobenzamide
CID 135306683
2-chloro-N-(3-fluoro-5-nitrophenyl)pyridine-3-carboxamide
CID 107334861

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-fluoro-5-nitrophenyl)pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-(3-fluoro-5-nitrophenyl)pyridine-3-carboxamide (CID 107334878) is 6-bromo-N-(3-fluoro-5-nitrophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(3-fluoro-5-nitrophenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(3-fluoro-5-nitrophenyl)pyridine-3-carboxamide is O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-(3-fluoro-5-nitrophenyl)pyridine-3-carboxamide?
The InChIKey is KUOOGTQCWVKJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrFN3O3/c13-11-2-1-7(6-15-11)12(18)16-9-3-8(14)4-10(5-9)17(19)20/h1-6H,(H,16,18).
What are the key properties of 6-bromo-N-(3-fluoro-5-nitrophenyl)pyridine-3-carboxamide?
6-bromo-N-(3-fluoro-5-nitrophenyl)pyridine-3-carboxamide has a molecular weight of 340.11 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-fluoro-5-nitrophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 107334878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).