4-(difluoromethyl)-6-fluoro-3-(trifluoromethoxy)pyridine-2-carbonitrile

C8H2F6N2O — CID 119019491

IUPAC4-(difluoromethyl)-6-fluoro-3-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESN#Cc1nc(F)cc(C(F)F)c1OC(F)(F)F
InChIInChI=1S/C8H2F6N2O/c9-5-1-3(7(10)11)6(4(2-15)16-5)17-8(12,13)14/h1,7H
InChIKeyKWYHZXKGSXLYMA-UHFFFAOYSA-N
MW256.11 g/mol
LogP2.93
Rot. Bonds2

About 4-(difluoromethyl)-6-fluoro-3-(trifluoromethoxy)pyridine-2-carbonitrile

4-(difluoromethyl)-6-fluoro-3-(trifluoromethoxy)pyridine-2-carbonitrile (PubChem CID 119019491) has the molecular formula C8H2F6N2O and a molecular weight of 256.11 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-fluoro-3-(trifluoromethoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(difluoromethyl)-6-fluoro-3-(trifluoromethoxy)pyridine-2-carbonitrile
PubChem CID119019491
Molecular FormulaC8H2F6N2O
Molecular Weight256.11 g/mol
Exact Mass256.01
IUPAC Name4-(difluoromethyl)-6-fluoro-3-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESN#Cc1nc(F)cc(C(F)F)c1OC(F)(F)F
InChIInChI=1S/C8H2F6N2O/c9-5-1-3(7(10)11)6(4(2-15)16-5)17-8(12,13)14/h1,7H
InChIKeyKWYHZXKGSXLYMA-UHFFFAOYSA-N
XLogP2.93
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.11
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
CID 130070896
6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbonitrile
CID 119016947
4-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118828849
6-(bromomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118826916
3-(cyanomethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 119009167
2-amino-6-fluoro-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119022260
4-(difluoromethyl)-2,6-difluoropyridine-3-carbonitrile
CID 130099594
4-(difluoromethyl)-6-formyl-3-methoxypyridine-2-carbonitrile
CID 119024722
4-(difluoromethyl)-2-fluoro-6-methoxy-3-(trifluoromethoxy)pyridine
CID 118801347
4-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
CID 118845275
5-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine-2-carbonitrile
CID 134675768
3-(difluoromethyl)-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 119011943

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-fluoro-3-(trifluoromethoxy)pyridine-2-carbonitrile?
The IUPAC name of 4-(difluoromethyl)-6-fluoro-3-(trifluoromethoxy)pyridine-2-carbonitrile (CID 119019491) is 4-(difluoromethyl)-6-fluoro-3-(trifluoromethoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(difluoromethyl)-6-fluoro-3-(trifluoromethoxy)pyridine-2-carbonitrile?
The canonical SMILES for 4-(difluoromethyl)-6-fluoro-3-(trifluoromethoxy)pyridine-2-carbonitrile is N#Cc1nc(F)cc(C(F)F)c1OC(F)(F)F.
What is the InChIKey of 4-(difluoromethyl)-6-fluoro-3-(trifluoromethoxy)pyridine-2-carbonitrile?
The InChIKey is KWYHZXKGSXLYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F6N2O/c9-5-1-3(7(10)11)6(4(2-15)16-5)17-8(12,13)14/h1,7H.
What are the key properties of 4-(difluoromethyl)-6-fluoro-3-(trifluoromethoxy)pyridine-2-carbonitrile?
4-(difluoromethyl)-6-fluoro-3-(trifluoromethoxy)pyridine-2-carbonitrile has a molecular weight of 256.11 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-fluoro-3-(trifluoromethoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 119019491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).