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

C12H8FN3O4 — CID 107743946

IUPAC3-fluoro-N-(2-hydroxy-4-nitrophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1O)c1ccncc1F
InChIInChI=1S/C12H8FN3O4/c13-9-6-14-4-3-8(9)12(18)15-10-2-1-7(16(19)20)5-11(10)17/h1-6,17H,(H,15,18)
InChIKeyNKTWDPQFOMXKDN-UHFFFAOYSA-N
MW277.21 g/mol
LogP2.09
Rot. Bonds3

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

3-fluoro-N-(2-hydroxy-4-nitrophenyl)pyridine-4-carboxamide (PubChem CID 107743946) has the molecular formula C12H8FN3O4 and a molecular weight of 277.21 g/mol. Its IUPAC name is 3-fluoro-N-(2-hydroxy-4-nitrophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(2-hydroxy-4-nitrophenyl)pyridine-4-carboxamide
PubChem CID107743946
Molecular FormulaC12H8FN3O4
Molecular Weight277.21 g/mol
Exact Mass277.05
IUPAC Name3-fluoro-N-(2-hydroxy-4-nitrophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1O)c1ccncc1F
InChIInChI=1S/C12H8FN3O4/c13-9-6-14-4-3-8(9)12(18)15-10-2-1-7(16(19)20)5-11(10)17/h1-6,17H,(H,15,18)
InChIKeyNKTWDPQFOMXKDN-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

(2E)-3-[(2-hydroxyphenyl)amino]-1-(pyridin-4-yl)but-2-en-1-one
CID 5310870
N-(2-methoxy-4-nitrophenyl)pyridine-4-carboxamide
CID 2789564
3-fluoro-N-(2-hydroxy-6-methylphenyl)pyridine-4-carboxamide
CID 86783942
3-(2-Hydroxyanilino)-1-pyridin-4-ylbut-2-en-1-one
CID 878421
N-(5-cyano-2-hydroxyphenyl)-3-fluoropyridine-4-carboxamide
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N-(3-fluoro-5-hydroxyphenyl)-2-pyridin-3-ylacetamide
CID 75395197
N-(2-Hydroxyphenyl)-4-pyridinecarboxamide
CID 7791937
3-fluoro-N-(2-hydroxyphenyl)isonicotinamide
CID 59783499
N-[2-hydroxy-5-(trifluoromethyl)phenyl]-3-methylisonicotinamide
CID 66879593
N-(2-hydroxy-5-trifluoromethylphenyl)isonicotinamide
CID 66879863
3-fluoro-N-[2-hydroxy-5-(trifluoromethyl)phenyl]isonicotinamide
CID 66880195
N-[5-(trifluoromethoxy)-2-hydroxyphenyl]isonicotinamide
CID 66880246

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-hydroxy-4-nitrophenyl)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-(2-hydroxy-4-nitrophenyl)pyridine-4-carboxamide (CID 107743946) is 3-fluoro-N-(2-hydroxy-4-nitrophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-(2-hydroxy-4-nitrophenyl)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-(2-hydroxy-4-nitrophenyl)pyridine-4-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1O)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-(2-hydroxy-4-nitrophenyl)pyridine-4-carboxamide?
The InChIKey is NKTWDPQFOMXKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O4/c13-9-6-14-4-3-8(9)12(18)15-10-2-1-7(16(19)20)5-11(10)17/h1-6,17H,(H,15,18).
What are the key properties of 3-fluoro-N-(2-hydroxy-4-nitrophenyl)pyridine-4-carboxamide?
3-fluoro-N-(2-hydroxy-4-nitrophenyl)pyridine-4-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 3-fluoro-N-(2-hydroxy-4-nitrophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 107743946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).