5-fluoro-N-(2-hydroxy-4-nitrophenyl)pyridine-3-carboxamide

C12H8FN3O4 — CID 107745112

IUPAC5-fluoro-N-(2-hydroxy-4-nitrophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1O)c1cncc(F)c1
InChIInChI=1S/C12H8FN3O4/c13-8-3-7(5-14-6-8)12(18)15-10-2-1-9(16(19)20)4-11(10)17/h1-6,17H,(H,15,18)
InChIKeyWLIIVVKVHFDAHW-UHFFFAOYSA-N
MW277.21 g/mol
LogP2.09
Rot. Bonds3

About 5-fluoro-N-(2-hydroxy-4-nitrophenyl)pyridine-3-carboxamide

5-fluoro-N-(2-hydroxy-4-nitrophenyl)pyridine-3-carboxamide (PubChem CID 107745112) has the molecular formula C12H8FN3O4 and a molecular weight of 277.21 g/mol. Its IUPAC name is 5-fluoro-N-(2-hydroxy-4-nitrophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(2-hydroxy-4-nitrophenyl)pyridine-3-carboxamide
PubChem CID107745112
Molecular FormulaC12H8FN3O4
Molecular Weight277.21 g/mol
Exact Mass277.05
IUPAC Name5-fluoro-N-(2-hydroxy-4-nitrophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1O)c1cncc(F)c1
InChIInChI=1S/C12H8FN3O4/c13-8-3-7(5-14-6-8)12(18)15-10-2-1-9(16(19)20)4-11(10)17/h1-6,17H,(H,15,18)
InChIKeyWLIIVVKVHFDAHW-UHFFFAOYSA-N
XLogP2.09
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.21
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', '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-Chloro-N-(2-hydroxy-phenyl)-1-oxy-nicotinamide
CID 21878262
(2E)-3-[(2-hydroxyphenyl)amino]-1-(pyridin-3-yl)but-2-en-1-one
CID 5410864
N-(3-hydroxyphenyl)pyridine-3-carboxamide
CID 677062
N-(2-methoxy-4-nitrophenyl)pyridine-3-carboxamide
CID 2851985
N-(2-hydroxyphenyl)pyridine-3-carboxamide
CID 5153532
2-ethoxy-N-(2-methoxy-4-nitrophenyl)pyridine-3-carboxamide
CID 24097687
N-(3-fluoro-5-hydroxyphenyl)-5-methylpyridine-3-carboxamide
CID 75395198
2-N-(4-fluoro-2-hydroxyphenyl)pyridine-2,5-dicarboxamide
CID 117677634
2-N-(5-fluoro-2-hydroxyphenyl)pyridine-2,5-dicarboxamide
CID 117677656
5-N-(2-fluoro-6-hydroxyphenyl)pyridine-2,5-dicarboxamide
CID 117677680
5-N-(3-fluoro-2-hydroxyphenyl)pyridine-2,5-dicarboxamide
CID 117677894
5-N-(5-fluoro-2-hydroxyphenyl)pyridine-2,5-dicarboxamide
CID 117677915

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(2-hydroxy-4-nitrophenyl)pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-N-(2-hydroxy-4-nitrophenyl)pyridine-3-carboxamide (CID 107745112) is 5-fluoro-N-(2-hydroxy-4-nitrophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-(2-hydroxy-4-nitrophenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-N-(2-hydroxy-4-nitrophenyl)pyridine-3-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1O)c1cncc(F)c1.
What is the InChIKey of 5-fluoro-N-(2-hydroxy-4-nitrophenyl)pyridine-3-carboxamide?
The InChIKey is WLIIVVKVHFDAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O4/c13-8-3-7(5-14-6-8)12(18)15-10-2-1-9(16(19)20)4-11(10)17/h1-6,17H,(H,15,18).
What are the key properties of 5-fluoro-N-(2-hydroxy-4-nitrophenyl)pyridine-3-carboxamide?
5-fluoro-N-(2-hydroxy-4-nitrophenyl)pyridine-3-carboxamide has a molecular weight of 277.21 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(2-hydroxy-4-nitrophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 107745112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).