2,3-difluoro-N-(2-hydroxy-4-nitrophenyl)pyridine-4-carboxamide

C12H7F2N3O4 — CID 107743968

IUPAC2,3-difluoro-N-(2-hydroxy-4-nitrophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1O)c1ccnc(F)c1F
InChIInChI=1S/C12H7F2N3O4/c13-10-7(3-4-15-11(10)14)12(19)16-8-2-1-6(17(20)21)5-9(8)18/h1-5,18H,(H,16,19)
InChIKeyWFXBPIGKHUDWOG-UHFFFAOYSA-N
MW295.20 g/mol
LogP2.23
Rot. Bonds3

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

2,3-difluoro-N-(2-hydroxy-4-nitrophenyl)pyridine-4-carboxamide (PubChem CID 107743968) has the molecular formula C12H7F2N3O4 and a molecular weight of 295.20 g/mol. Its IUPAC name is 2,3-difluoro-N-(2-hydroxy-4-nitrophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,3-difluoro-N-(2-hydroxy-4-nitrophenyl)pyridine-4-carboxamide
PubChem CID107743968
Molecular FormulaC12H7F2N3O4
Molecular Weight295.20 g/mol
Exact Mass295.04
IUPAC Name2,3-difluoro-N-(2-hydroxy-4-nitrophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1O)c1ccnc(F)c1F
InChIInChI=1S/C12H7F2N3O4/c13-10-7(3-4-15-11(10)14)12(19)16-8-2-1-6(17(20)21)5-9(8)18/h1-5,18H,(H,16,19)
InChIKeyWFXBPIGKHUDWOG-UHFFFAOYSA-N
XLogP2.23
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.20
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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

2,3-difluoro-N-(2-methyl-5-nitrophenyl)pyridine-4-carboxamide
CID 105380524
2,3-difluoro-N-(3-nitrophenyl)pyridine-4-carboxamide
CID 105380312
2,4-difluoro-N-(2-hydroxy-4-nitrophenyl)benzamide
CID 108808620
4-bromo-2-hydroxy-N-(2-hydroxy-4-nitrophenyl)benzamide
CID 107745262
2,3-difluoro-N-(4-hydroxy-2-methylphenyl)pyridine-4-carboxamide
CID 105381289
N-(2-hydroxy-4-nitrophenyl)-4,5-dihydro-1H-imidazole-2-carboxamide
CID 91901923
5-amino-2-bromo-N-(2-hydroxy-4-nitrophenyl)benzamide
CID 107744382
2,3-difluoro-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 103863233
N-(2,5-difluoro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide
CID 103585463
methyl 2-[(2-hydroxy-4-nitrophenyl)carbamoyl]benzoate
CID 108798714
4-amino-3-fluoro-N-(2-hydroxy-4-nitrophenyl)benzamide
CID 107744277
N-(2-hydroxy-4-nitrophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 19474180

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(2-hydroxy-4-nitrophenyl)pyridine-4-carboxamide?
The IUPAC name of 2,3-difluoro-N-(2-hydroxy-4-nitrophenyl)pyridine-4-carboxamide (CID 107743968) is 2,3-difluoro-N-(2-hydroxy-4-nitrophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,3-difluoro-N-(2-hydroxy-4-nitrophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2,3-difluoro-N-(2-hydroxy-4-nitrophenyl)pyridine-4-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1O)c1ccnc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-(2-hydroxy-4-nitrophenyl)pyridine-4-carboxamide?
The InChIKey is WFXBPIGKHUDWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2N3O4/c13-10-7(3-4-15-11(10)14)12(19)16-8-2-1-6(17(20)21)5-9(8)18/h1-5,18H,(H,16,19).
What are the key properties of 2,3-difluoro-N-(2-hydroxy-4-nitrophenyl)pyridine-4-carboxamide?
2,3-difluoro-N-(2-hydroxy-4-nitrophenyl)pyridine-4-carboxamide has a molecular weight of 295.20 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(2-hydroxy-4-nitrophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 107743968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).