2,3-difluoro-N-(2-methyl-5-nitrophenyl)pyridine-4-carboxamide

C13H9F2N3O3 — CID 105380524

IUPAC2,3-difluoro-N-(2-methyl-5-nitrophenyl)pyridine-4-carboxamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccnc(F)c1F
InChIInChI=1S/C13H9F2N3O3/c1-7-2-3-8(18(20)21)6-10(7)17-13(19)9-4-5-16-12(15)11(9)14/h2-6H,1H3,(H,17,19)
InChIKeyXLPUIFNPYDOHMA-UHFFFAOYSA-N
MW293.23 g/mol
LogP2.83
Rot. Bonds3

About 2,3-difluoro-N-(2-methyl-5-nitrophenyl)pyridine-4-carboxamide

2,3-difluoro-N-(2-methyl-5-nitrophenyl)pyridine-4-carboxamide (PubChem CID 105380524) has the molecular formula C13H9F2N3O3 and a molecular weight of 293.23 g/mol. Its IUPAC name is 2,3-difluoro-N-(2-methyl-5-nitrophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,3-difluoro-N-(2-methyl-5-nitrophenyl)pyridine-4-carboxamide
PubChem CID105380524
Molecular FormulaC13H9F2N3O3
Molecular Weight293.23 g/mol
Exact Mass293.06
IUPAC Name2,3-difluoro-N-(2-methyl-5-nitrophenyl)pyridine-4-carboxamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccnc(F)c1F
InChIInChI=1S/C13H9F2N3O3/c1-7-2-3-8(18(20)21)6-10(7)17-13(19)9-4-5-16-12(15)11(9)14/h2-6H,1H3,(H,17,19)
InChIKeyXLPUIFNPYDOHMA-UHFFFAOYSA-N
XLogP2.83
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.23
LogP ≤ 52.83
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-(3-nitrophenyl)pyridine-4-carboxamide
CID 105380312
N-(2,5-difluoro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide
CID 103585463
4-fluoro-N-(2-methyl-5-nitrophenyl)benzamide
CID 797390
2-fluoro-N-(2-fluoro-5-nitrophenyl)-3-methylbenzamide
CID 80710679
2,3-dimethyl-N-(2-methyl-5-nitrophenyl)benzamide
CID 30951453
2,3-difluoro-N-(4-hydroxy-2-methylphenyl)pyridine-4-carboxamide
CID 105381289
N-(5-fluoro-2-methylphenyl)-2-iodo-5-nitrobenzamide
CID 38898747
2-methyl-5-nitro-N-(2,3,4-trifluorophenyl)benzamide
CID 60594295
N-(2,5-dimethylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 16962982
2,4-dibromo-N-(2-methyl-5-nitrophenyl)benzamide
CID 103885202
4-[(2,3-difluoropyridine-4-carbonyl)amino]-3-methylbenzoic acid
CID 105380758

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(2-methyl-5-nitrophenyl)pyridine-4-carboxamide?
The IUPAC name of 2,3-difluoro-N-(2-methyl-5-nitrophenyl)pyridine-4-carboxamide (CID 105380524) is 2,3-difluoro-N-(2-methyl-5-nitrophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,3-difluoro-N-(2-methyl-5-nitrophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2,3-difluoro-N-(2-methyl-5-nitrophenyl)pyridine-4-carboxamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccnc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-(2-methyl-5-nitrophenyl)pyridine-4-carboxamide?
The InChIKey is XLPUIFNPYDOHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3O3/c1-7-2-3-8(18(20)21)6-10(7)17-13(19)9-4-5-16-12(15)11(9)14/h2-6H,1H3,(H,17,19).
What are the key properties of 2,3-difluoro-N-(2-methyl-5-nitrophenyl)pyridine-4-carboxamide?
2,3-difluoro-N-(2-methyl-5-nitrophenyl)pyridine-4-carboxamide has a molecular weight of 293.23 g/mol, XLogP of 2.83, 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-(2-methyl-5-nitrophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 105380524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).