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

C9H2F8N2O — CID 119011943

IUPAC3-(difluoromethyl)-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(C(F)(F)F)cc(OC(F)(F)F)c1C(F)F
InChIInChI=1S/C9H2F8N2O/c10-7(11)6-3(2-18)19-5(8(12,13)14)1-4(6)20-9(15,16)17/h1,7H
InChIKeyYMFKLHHBHHNZDD-UHFFFAOYSA-N
MW306.11 g/mol
LogP3.81
Rot. Bonds2

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

3-(difluoromethyl)-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-carbonitrile (PubChem CID 119011943) has the molecular formula C9H2F8N2O and a molecular weight of 306.11 g/mol. Its IUPAC name is 3-(difluoromethyl)-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(difluoromethyl)-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-carbonitrile
PubChem CID119011943
Molecular FormulaC9H2F8N2O
Molecular Weight306.11 g/mol
Exact Mass306.00
IUPAC Name3-(difluoromethyl)-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(C(F)(F)F)cc(OC(F)(F)F)c1C(F)F
InChIInChI=1S/C9H2F8N2O/c10-7(11)6-3(2-18)19-5(8(12,13)14)1-4(6)20-9(15,16)17/h1,7H
InChIKeyYMFKLHHBHHNZDD-UHFFFAOYSA-N
XLogP3.81
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.11
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(difluoromethyl)-2-methoxy-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134665221
2-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134670039
6-bromo-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile
CID 119013383
3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 130108890
2-(difluoromethyl)-3-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134681322
6-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118804353
3-(difluoromethyl)-6-methoxy-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 118990236
3-(difluoromethoxy)-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 118704023
2-cyano-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 119017878
4-(difluoromethyl)-6-fluoro-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 119019491
2-[6-(bromomethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134682362
5,6-dimethyl-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133096333

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 3-(difluoromethyl)-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-carbonitrile (CID 119011943) is 3-(difluoromethyl)-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-(difluoromethyl)-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 3-(difluoromethyl)-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-carbonitrile is N#Cc1nc(C(F)(F)F)cc(OC(F)(F)F)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-carbonitrile?
The InChIKey is YMFKLHHBHHNZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H2F8N2O/c10-7(11)6-3(2-18)19-5(8(12,13)14)1-4(6)20-9(15,16)17/h1,7H.
What are the key properties of 3-(difluoromethyl)-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-carbonitrile?
3-(difluoromethyl)-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-carbonitrile has a molecular weight of 306.11 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 119011943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).