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

C12H7F2N3O3 — CID 105380312

IUPAC2,3-difluoro-N-(3-nitrophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1ccnc(F)c1F
InChIInChI=1S/C12H7F2N3O3/c13-10-9(4-5-15-11(10)14)12(18)16-7-2-1-3-8(6-7)17(19)20/h1-6H,(H,16,18)
InChIKeySYVUQEZNQCWTEV-UHFFFAOYSA-N
MW279.20 g/mol
LogP2.52
Rot. Bonds3

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

2,3-difluoro-N-(3-nitrophenyl)pyridine-4-carboxamide (PubChem CID 105380312) has the molecular formula C12H7F2N3O3 and a molecular weight of 279.20 g/mol. Its IUPAC name is 2,3-difluoro-N-(3-nitrophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,3-difluoro-N-(3-nitrophenyl)pyridine-4-carboxamide
PubChem CID105380312
Molecular FormulaC12H7F2N3O3
Molecular Weight279.20 g/mol
Exact Mass279.05
IUPAC Name2,3-difluoro-N-(3-nitrophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1ccnc(F)c1F
InChIInChI=1S/C12H7F2N3O3/c13-10-9(4-5-15-11(10)14)12(18)16-7-2-1-3-8(6-7)17(19)20/h1-6H,(H,16,18)
InChIKeySYVUQEZNQCWTEV-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

2,3-difluoro-N-(2-hydroxy-4-nitrophenyl)pyridine-4-carboxamide
CID 107743968
2,3-difluoro-N-(2-methyl-5-nitrophenyl)pyridine-4-carboxamide
CID 105380524
2-fluoro-N-(3-nitrophenyl)benzamide
CID 531938
2-chloro-4,5-difluoro-N-(3-nitrophenyl)benzamide
CID 797365
2-methylsulfanyl-N-(3-nitrophenyl)pyridine-3-carboxamide
CID 926631
N-(3-nitrophenyl)pyrimidine-4-carboxamide
CID 140508331
2-amino-3-fluoro-N-(3-nitrophenyl)benzamide
CID 62650434
5-bromo-2-fluoro-N-(3-nitrophenyl)benzamide
CID 9410966
4-amino-N-(3-nitrophenyl)pyridine-3-carboxamide
CID 81235802
2-[(3-nitrophenyl)carbamoyl]benzoate
CID 6935895
2,3-difluoro-N-quinoxalin-6-ylpyridine-4-carboxamide
CID 105380445
2-iodo-5-nitro-N-(3-nitrophenyl)benzamide
CID 38925983

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(3-nitrophenyl)pyridine-4-carboxamide?
The IUPAC name of 2,3-difluoro-N-(3-nitrophenyl)pyridine-4-carboxamide (CID 105380312) is 2,3-difluoro-N-(3-nitrophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,3-difluoro-N-(3-nitrophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2,3-difluoro-N-(3-nitrophenyl)pyridine-4-carboxamide is O=C(Nc1cccc([N+](=O)[O-])c1)c1ccnc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-(3-nitrophenyl)pyridine-4-carboxamide?
The InChIKey is SYVUQEZNQCWTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2N3O3/c13-10-9(4-5-15-11(10)14)12(18)16-7-2-1-3-8(6-7)17(19)20/h1-6H,(H,16,18).
What are the key properties of 2,3-difluoro-N-(3-nitrophenyl)pyridine-4-carboxamide?
2,3-difluoro-N-(3-nitrophenyl)pyridine-4-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 2,3-difluoro-N-(3-nitrophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 105380312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).