3-(difluoromethyl)-6-fluoro-2-nitropyridine-4-carbonitrile

C7H2F3N3O2 — CID 134686625

IUPAC3-(difluoromethyl)-6-fluoro-2-nitropyridine-4-carbonitrile
SMILESN#Cc1cc(F)nc([N+](=O)[O-])c1C(F)F
InChIInChI=1S/C7H2F3N3O2/c8-4-1-3(2-11)5(6(9)10)7(12-4)13(14)15/h1,6H
InChIKeyVPKLQNSHBDXLEE-UHFFFAOYSA-N
MW217.11 g/mol
LogP1.94
Rot. Bonds2

About 3-(difluoromethyl)-6-fluoro-2-nitropyridine-4-carbonitrile

3-(difluoromethyl)-6-fluoro-2-nitropyridine-4-carbonitrile (PubChem CID 134686625) has the molecular formula C7H2F3N3O2 and a molecular weight of 217.11 g/mol. Its IUPAC name is 3-(difluoromethyl)-6-fluoro-2-nitropyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(difluoromethyl)-6-fluoro-2-nitropyridine-4-carbonitrile
PubChem CID134686625
Molecular FormulaC7H2F3N3O2
Molecular Weight217.11 g/mol
Exact Mass217.01
IUPAC Name3-(difluoromethyl)-6-fluoro-2-nitropyridine-4-carbonitrile
SMILESN#Cc1cc(F)nc([N+](=O)[O-])c1C(F)F
InChIInChI=1S/C7H2F3N3O2/c8-4-1-3(2-11)5(6(9)10)7(12-4)13(14)15/h1,6H
InChIKeyVPKLQNSHBDXLEE-UHFFFAOYSA-N
XLogP1.94
TPSA79.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.11
LogP ≤ 51.94
H-Bond Donors ≤ 50
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'}

Analyze 3-(difluoromethyl)-6-fluoro-2-nitropyridine-4-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

3-(difluoromethyl)-4,6-difluoro-2-nitropyridine
CID 118800101
5-(difluoromethyl)-6-fluoro-2-nitropyridine-3-carbonitrile
CID 134685609
ethyl 2-[4-cyano-5-(difluoromethyl)-6-nitro-2-pyridinyl]acetate
CID 133107228
2-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridine-4-carbonitrile
CID 130076123
5-(difluoromethyl)-6-fluoro-4-nitropyridine-3-carbonitrile
CID 134662387
5-(difluoromethyl)-6-iodo-2-nitropyridine-3-carbonitrile
CID 130077265
6-bromo-3-(difluoromethyl)-4-fluoro-2-nitropyridine
CID 130109415
4-(difluoromethyl)-6-fluoro-2-nitropyridin-3-ol
CID 118852034
5-(difluoromethyl)-6-(hydroxymethyl)-2-nitropyridine-3-carbonitrile
CID 130078702
4-(cyanomethyl)-5-(difluoromethyl)-6-nitropyridine-3-carbonitrile
CID 133107364
3-(difluoromethyl)-4,6-diiodo-2-nitropyridine
CID 130100550
4-chloro-3-(difluoromethyl)-6-nitropyridine-2-carbonitrile
CID 118845280

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-6-fluoro-2-nitropyridine-4-carbonitrile?
The IUPAC name of 3-(difluoromethyl)-6-fluoro-2-nitropyridine-4-carbonitrile (CID 134686625) is 3-(difluoromethyl)-6-fluoro-2-nitropyridine-4-carbonitrile.
What is the SMILES notation for 3-(difluoromethyl)-6-fluoro-2-nitropyridine-4-carbonitrile?
The canonical SMILES for 3-(difluoromethyl)-6-fluoro-2-nitropyridine-4-carbonitrile is N#Cc1cc(F)nc([N+](=O)[O-])c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-6-fluoro-2-nitropyridine-4-carbonitrile?
The InChIKey is VPKLQNSHBDXLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F3N3O2/c8-4-1-3(2-11)5(6(9)10)7(12-4)13(14)15/h1,6H.
What are the key properties of 3-(difluoromethyl)-6-fluoro-2-nitropyridine-4-carbonitrile?
3-(difluoromethyl)-6-fluoro-2-nitropyridine-4-carbonitrile has a molecular weight of 217.11 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-6-fluoro-2-nitropyridine-4-carbonitrile is sourced from PubChem (CID 134686625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).