4-(difluoromethyl)-5-fluoro-3-nitropyridine-2-carboxamide

C7H4F3N3O3 — CID 118840768

IUPAC4-(difluoromethyl)-5-fluoro-3-nitropyridine-2-carboxamide
SMILESNC(=O)c1ncc(F)c(C(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C7H4F3N3O3/c8-2-1-12-4(7(11)14)5(13(15)16)3(2)6(9)10/h1,6H,(H2,11,14)
InChIKeyZGBIZYSSAWRCIQ-UHFFFAOYSA-N
MW235.12 g/mol
LogP1.17
Rot. Bonds3

About 4-(difluoromethyl)-5-fluoro-3-nitropyridine-2-carboxamide

4-(difluoromethyl)-5-fluoro-3-nitropyridine-2-carboxamide (PubChem CID 118840768) has the molecular formula C7H4F3N3O3 and a molecular weight of 235.12 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-fluoro-3-nitropyridine-2-carboxamide.

Molecular Properties

Compound Name4-(difluoromethyl)-5-fluoro-3-nitropyridine-2-carboxamide
PubChem CID118840768
Molecular FormulaC7H4F3N3O3
Molecular Weight235.12 g/mol
Exact Mass235.02
IUPAC Name4-(difluoromethyl)-5-fluoro-3-nitropyridine-2-carboxamide
SMILESNC(=O)c1ncc(F)c(C(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C7H4F3N3O3/c8-2-1-12-4(7(11)14)5(13(15)16)3(2)6(9)10/h1,6H,(H2,11,14)
InChIKeyZGBIZYSSAWRCIQ-UHFFFAOYSA-N
XLogP1.17
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.12
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(difluoromethyl)-5-fluoro-3-nitropyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(difluoromethyl)-4,5-difluoropyridine-2-carboxamide
CID 118807178
4-cyano-5-(difluoromethyl)-3-nitropyridine-2-carboxamide
CID 118822344
2-bromo-3-(difluoromethyl)-5-fluoro-4-nitropyridine
CID 119002402
5-(difluoromethyl)-2-methyl-4-nitropyridine-3-carboxamide
CID 133098851
5-bromo-3-(difluoromethyl)-4-nitropyridine-2-carboxylic acid
CID 130069949
5-(difluoromethyl)-4-fluoro-3-nitropyridine-2-carboxylic acid
CID 130081512
3-(difluoromethyl)-6-methyl-2-nitropyridine-4-carboxamide
CID 133098937
ethyl 2-[3-(difluoromethyl)-5-fluoro-4-nitro-2-pyridinyl]acetate
CID 133104912
methyl 3-(difluoromethyl)-5-methyl-4-nitropyridine-2-carboxylate
CID 133099156
6-amino-5-(difluoromethyl)-4-nitropyridin-3-ol
CID 119007909
3-(difluoromethyl)-4,5-diiodopyridine-2-carboxamide
CID 130100754
methyl 3-(aminomethyl)-4-(difluoromethyl)-5-fluoropyridine-2-carboxylate
CID 133104277

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-fluoro-3-nitropyridine-2-carboxamide?
The IUPAC name of 4-(difluoromethyl)-5-fluoro-3-nitropyridine-2-carboxamide (CID 118840768) is 4-(difluoromethyl)-5-fluoro-3-nitropyridine-2-carboxamide.
What is the SMILES notation for 4-(difluoromethyl)-5-fluoro-3-nitropyridine-2-carboxamide?
The canonical SMILES for 4-(difluoromethyl)-5-fluoro-3-nitropyridine-2-carboxamide is NC(=O)c1ncc(F)c(C(F)F)c1[N+](=O)[O-].
What is the InChIKey of 4-(difluoromethyl)-5-fluoro-3-nitropyridine-2-carboxamide?
The InChIKey is ZGBIZYSSAWRCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N3O3/c8-2-1-12-4(7(11)14)5(13(15)16)3(2)6(9)10/h1,6H,(H2,11,14).
What are the key properties of 4-(difluoromethyl)-5-fluoro-3-nitropyridine-2-carboxamide?
4-(difluoromethyl)-5-fluoro-3-nitropyridine-2-carboxamide has a molecular weight of 235.12 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-fluoro-3-nitropyridine-2-carboxamide is sourced from PubChem (CID 118840768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).