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

C7H4F3N3O3 — CID 118820529

IUPAC6-(difluoromethyl)-2-fluoro-5-nitropyridine-3-carboxamide
SMILESNC(=O)c1cc([N+](=O)[O-])c(C(F)F)nc1F
InChIInChI=1S/C7H4F3N3O3/c8-5(9)4-3(13(15)16)1-2(7(11)14)6(10)12-4/h1,5H,(H2,11,14)
InChIKeyKYGLQVBKXMTCRI-UHFFFAOYSA-N
MW235.12 g/mol
LogP1.17
Rot. Bonds3

About 6-(difluoromethyl)-2-fluoro-5-nitropyridine-3-carboxamide

6-(difluoromethyl)-2-fluoro-5-nitropyridine-3-carboxamide (PubChem CID 118820529) has the molecular formula C7H4F3N3O3 and a molecular weight of 235.12 g/mol. Its IUPAC name is 6-(difluoromethyl)-2-fluoro-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-2-fluoro-5-nitropyridine-3-carboxamide
PubChem CID118820529
Molecular FormulaC7H4F3N3O3
Molecular Weight235.12 g/mol
Exact Mass235.02
IUPAC Name6-(difluoromethyl)-2-fluoro-5-nitropyridine-3-carboxamide
SMILESNC(=O)c1cc([N+](=O)[O-])c(C(F)F)nc1F
InChIInChI=1S/C7H4F3N3O3/c8-5(9)4-3(13(15)16)1-2(7(11)14)6(10)12-4/h1,5H,(H2,11,14)
InChIKeyKYGLQVBKXMTCRI-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': '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

6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carboxamide
CID 118831634
6-(difluoromethyl)-2-fluoro-5-methylpyridine-3-carboxamide
CID 118814860
5-bromo-2-(difluoromethyl)-6-fluoro-3-nitropyridine
CID 130109443
2-(difluoromethyl)-6-fluoro-5-iodo-3-nitropyridine
CID 118854544
ethyl 2-[6-(difluoromethyl)-2-fluoro-5-nitro-3-pyridinyl]acetate
CID 133104681
5-(chloromethyl)-2-(difluoromethyl)-6-fluoro-3-nitropyridine
CID 130081475
6-(difluoromethyl)-2-fluoro-5-nitropyridine-3-sulfonyl chloride
CID 118809611
2-cyano-6-(difluoromethyl)-5-nitropyridine-3-carboxylic acid
CID 134685781
6-(difluoromethyl)-5-nitropyridine-2,3-diamine
CID 119002066
ethyl 2-bromo-6-(difluoromethyl)-5-nitropyridine-3-carboxylate
CID 134670850
6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118854491
2-amino-4,5-dinitrobenzamide
CID 119012907

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2-fluoro-5-nitropyridine-3-carboxamide?
The IUPAC name of 6-(difluoromethyl)-2-fluoro-5-nitropyridine-3-carboxamide (CID 118820529) is 6-(difluoromethyl)-2-fluoro-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-2-fluoro-5-nitropyridine-3-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-2-fluoro-5-nitropyridine-3-carboxamide is NC(=O)c1cc([N+](=O)[O-])c(C(F)F)nc1F.
What is the InChIKey of 6-(difluoromethyl)-2-fluoro-5-nitropyridine-3-carboxamide?
The InChIKey is KYGLQVBKXMTCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N3O3/c8-5(9)4-3(13(15)16)1-2(7(11)14)6(10)12-4/h1,5H,(H2,11,14).
What are the key properties of 6-(difluoromethyl)-2-fluoro-5-nitropyridine-3-carboxamide?
6-(difluoromethyl)-2-fluoro-5-nitropyridine-3-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 6-(difluoromethyl)-2-fluoro-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 118820529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).