6-fluoro-N-(2-fluoro-5-nitrophenyl)pyridine-2-carboxamide

C12H7F2N3O3 — CID 115496793

IUPAC6-fluoro-N-(2-fluoro-5-nitrophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1F)c1cccc(F)n1
InChIInChI=1S/C12H7F2N3O3/c13-8-5-4-7(17(19)20)6-10(8)16-12(18)9-2-1-3-11(14)15-9/h1-6H,(H,16,18)
InChIKeyXPWDJSCAYDTHFJ-UHFFFAOYSA-N
MW279.20 g/mol
LogP2.52
Rot. Bonds3

About 6-fluoro-N-(2-fluoro-5-nitrophenyl)pyridine-2-carboxamide

6-fluoro-N-(2-fluoro-5-nitrophenyl)pyridine-2-carboxamide (PubChem CID 115496793) has the molecular formula C12H7F2N3O3 and a molecular weight of 279.20 g/mol. Its IUPAC name is 6-fluoro-N-(2-fluoro-5-nitrophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(2-fluoro-5-nitrophenyl)pyridine-2-carboxamide
PubChem CID115496793
Molecular FormulaC12H7F2N3O3
Molecular Weight279.20 g/mol
Exact Mass279.05
IUPAC Name6-fluoro-N-(2-fluoro-5-nitrophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1F)c1cccc(F)n1
InChIInChI=1S/C12H7F2N3O3/c13-8-5-4-7(17(19)20)6-10(8)16-12(18)9-2-1-3-11(14)15-9/h1-6H,(H,16,18)
InChIKeyXPWDJSCAYDTHFJ-UHFFFAOYSA-N
XLogP2.52
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.20
LogP ≤ 52.52
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

6-fluoro-N-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide
CID 115496741
4-fluoro-3-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 115496348
N-(2-fluoro-5-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 62044834
N-(4-chloro-2-fluorophenyl)-6-fluoropyridine-2-carboxamide
CID 113323409
3-[(2-fluoro-5-nitrophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369206
4-amino-N-(2-fluoro-5-nitrophenyl)pyridine-2-carboxamide
CID 62155643
2-fluoro-N-(2-fluoro-5-nitrophenyl)-3-methylbenzamide
CID 80710679
N-(2-fluoro-5-nitrophenyl)-5-hydrazinylpyrazine-2-carboxamide
CID 107378095
2-chloro-N-(2-fluoro-5-nitrophenyl)pyridine-3-carboxamide
CID 17102140
6-chloro-N-(2-chloro-4-nitrophenyl)pyridine-2-carboxamide
CID 62234009
3-benzamido-N-(2-fluoro-5-nitrophenyl)benzamide
CID 1300799
6-bromo-N-(2-methyl-5-nitrophenyl)pyridine-2-carboxamide
CID 103874163

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2-fluoro-5-nitrophenyl)pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-(2-fluoro-5-nitrophenyl)pyridine-2-carboxamide (CID 115496793) is 6-fluoro-N-(2-fluoro-5-nitrophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-(2-fluoro-5-nitrophenyl)pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-(2-fluoro-5-nitrophenyl)pyridine-2-carboxamide is O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cccc(F)n1.
What is the InChIKey of 6-fluoro-N-(2-fluoro-5-nitrophenyl)pyridine-2-carboxamide?
The InChIKey is XPWDJSCAYDTHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2N3O3/c13-8-5-4-7(17(19)20)6-10(8)16-12(18)9-2-1-3-11(14)15-9/h1-6H,(H,16,18).
What are the key properties of 6-fluoro-N-(2-fluoro-5-nitrophenyl)pyridine-2-carboxamide?
6-fluoro-N-(2-fluoro-5-nitrophenyl)pyridine-2-carboxamide has a molecular weight of 279.20 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2-fluoro-5-nitrophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 115496793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).