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

C12H8FN3O4 — CID 107681305

IUPAC5-fluoro-N-(2-hydroxy-6-nitrophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1c(O)cccc1[N+](=O)[O-])c1ccc(F)cn1
InChIInChI=1S/C12H8FN3O4/c13-7-4-5-8(14-6-7)12(18)15-11-9(16(19)20)2-1-3-10(11)17/h1-6,17H,(H,15,18)
InChIKeyOCNWYNZRHPLGCR-UHFFFAOYSA-N
MW277.21 g/mol
LogP2.09
Rot. Bonds3

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

5-fluoro-N-(2-hydroxy-6-nitrophenyl)pyridine-2-carboxamide (PubChem CID 107681305) has the molecular formula C12H8FN3O4 and a molecular weight of 277.21 g/mol. Its IUPAC name is 5-fluoro-N-(2-hydroxy-6-nitrophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(2-hydroxy-6-nitrophenyl)pyridine-2-carboxamide
PubChem CID107681305
Molecular FormulaC12H8FN3O4
Molecular Weight277.21 g/mol
Exact Mass277.05
IUPAC Name5-fluoro-N-(2-hydroxy-6-nitrophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1c(O)cccc1[N+](=O)[O-])c1ccc(F)cn1
InChIInChI=1S/C12H8FN3O4/c13-7-4-5-8(14-6-7)12(18)15-11-9(16(19)20)2-1-3-10(11)17/h1-6,17H,(H,15,18)
InChIKeyOCNWYNZRHPLGCR-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

5-cyano-N-(2-fluoro-6-nitrophenyl)pyridine-2-carboxamide
CID 107856982
N-(2-hydroxy-6-nitrophenyl)pyrimidine-5-carboxamide
CID 107681442
2-chloro-3-fluoro-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107681321
5,6-dichloro-N-(2-hydroxy-6-nitrophenyl)pyridine-3-carboxamide
CID 107679593
3-fluoro-N-(2-hydroxy-6-nitrophenyl)-5-methylbenzamide
CID 107681232
2-chloro-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107681178
2-amino-N-(2-hydroxy-6-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 107680867
4-(chloromethyl)-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107679552
N-(2-fluoro-6-nitrophenyl)-2H-triazole-4-carboxamide
CID 81311368
4-chloro-N-(2-hydroxy-6-nitrophenyl)butanamide
CID 107679551
3-bromo-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107681117
N-(2-hydroxy-6-nitrophenyl)prop-2-enamide
CID 107679556

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(2-hydroxy-6-nitrophenyl)pyridine-2-carboxamide?
The IUPAC name of 5-fluoro-N-(2-hydroxy-6-nitrophenyl)pyridine-2-carboxamide (CID 107681305) is 5-fluoro-N-(2-hydroxy-6-nitrophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-(2-hydroxy-6-nitrophenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-fluoro-N-(2-hydroxy-6-nitrophenyl)pyridine-2-carboxamide is O=C(Nc1c(O)cccc1[N+](=O)[O-])c1ccc(F)cn1.
What is the InChIKey of 5-fluoro-N-(2-hydroxy-6-nitrophenyl)pyridine-2-carboxamide?
The InChIKey is OCNWYNZRHPLGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O4/c13-7-4-5-8(14-6-7)12(18)15-11-9(16(19)20)2-1-3-10(11)17/h1-6,17H,(H,15,18).
What are the key properties of 5-fluoro-N-(2-hydroxy-6-nitrophenyl)pyridine-2-carboxamide?
5-fluoro-N-(2-hydroxy-6-nitrophenyl)pyridine-2-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-6-nitrophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 107681305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).