4-(difluoromethyl)-5-nitro-6-(trifluoromethyl)pyridine-3-carbonitrile

C8H2F5N3O2 — CID 134675290

IUPAC4-(difluoromethyl)-5-nitro-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1cnc(C(F)(F)F)c([N+](=O)[O-])c1C(F)F
InChIInChI=1S/C8H2F5N3O2/c9-7(10)4-3(1-14)2-15-6(8(11,12)13)5(4)16(17)18/h2,7H
InChIKeyFTPCVLDVAAKMBL-UHFFFAOYSA-N
MW267.11 g/mol
LogP2.82
Rot. Bonds2

About 4-(difluoromethyl)-5-nitro-6-(trifluoromethyl)pyridine-3-carbonitrile

4-(difluoromethyl)-5-nitro-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 134675290) has the molecular formula C8H2F5N3O2 and a molecular weight of 267.11 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-nitro-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(difluoromethyl)-5-nitro-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID134675290
Molecular FormulaC8H2F5N3O2
Molecular Weight267.11 g/mol
Exact Mass267.01
IUPAC Name4-(difluoromethyl)-5-nitro-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1cnc(C(F)(F)F)c([N+](=O)[O-])c1C(F)F
InChIInChI=1S/C8H2F5N3O2/c9-7(10)4-3(1-14)2-15-6(8(11,12)13)5(4)16(17)18/h2,7H
InChIKeyFTPCVLDVAAKMBL-UHFFFAOYSA-N
XLogP2.82
TPSA79.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.11
LogP ≤ 52.82
H-Bond Donors ≤ 50
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-nitro-6-(trifluoromethyl)pyridine-3-carbonitrile 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

5-chloro-4-(difluoromethyl)-3-nitro-2-(trifluoromethyl)pyridine
CID 134669618
4-(difluoromethyl)-5-methyl-3-nitro-2-(trifluoromethyl)pyridine
CID 118852057
5-(difluoromethyl)-6-fluoro-4-nitropyridine-3-carbonitrile
CID 134662387
5-bromo-3-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridine
CID 134685339
2-[5-cyano-4-(difluoromethyl)-3-nitro-2-pyridinyl]acetic acid
CID 134684158
5-(difluoromethyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 134685708
4-(difluoromethyl)-5-(hydroxymethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133106995
5-(difluoromethyl)-4-(hydroxymethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133107002
5-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridin-3-ol
CID 133102771
6-(difluoromethyl)-5-nitro-2-(trifluoromethyl)pyridine-3-carbonitrile
CID 134675519
4-bromo-6-(difluoromethyl)-5-nitropyridine-3-carbonitrile
CID 118822990
methyl 5-cyano-4-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylate
CID 133106377

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-nitro-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 4-(difluoromethyl)-5-nitro-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 134675290) is 4-(difluoromethyl)-5-nitro-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 4-(difluoromethyl)-5-nitro-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 4-(difluoromethyl)-5-nitro-6-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1cnc(C(F)(F)F)c([N+](=O)[O-])c1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-5-nitro-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is FTPCVLDVAAKMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F5N3O2/c9-7(10)4-3(1-14)2-15-6(8(11,12)13)5(4)16(17)18/h2,7H.
What are the key properties of 4-(difluoromethyl)-5-nitro-6-(trifluoromethyl)pyridine-3-carbonitrile?
4-(difluoromethyl)-5-nitro-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 267.11 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-nitro-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 134675290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).