3-(difluoromethoxy)-6-(trifluoromethyl)pyridine-2-carbonitrile

C8H3F5N2O — CID 118704023

IUPAC3-(difluoromethoxy)-6-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(C(F)(F)F)ccc1OC(F)F
InChIInChI=1S/C8H3F5N2O/c9-7(10)16-5-1-2-6(8(11,12)13)15-4(5)3-14/h1-2,7H
InChIKeyIQYWNFNZADLPDQ-UHFFFAOYSA-N
MW238.12 g/mol
LogP2.57
Rot. Bonds2

About 3-(difluoromethoxy)-6-(trifluoromethyl)pyridine-2-carbonitrile

3-(difluoromethoxy)-6-(trifluoromethyl)pyridine-2-carbonitrile (PubChem CID 118704023) has the molecular formula C8H3F5N2O and a molecular weight of 238.12 g/mol. Its IUPAC name is 3-(difluoromethoxy)-6-(trifluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(difluoromethoxy)-6-(trifluoromethyl)pyridine-2-carbonitrile
PubChem CID118704023
Molecular FormulaC8H3F5N2O
Molecular Weight238.12 g/mol
Exact Mass238.02
IUPAC Name3-(difluoromethoxy)-6-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(C(F)(F)F)ccc1OC(F)F
InChIInChI=1S/C8H3F5N2O/c9-7(10)16-5-1-2-6(8(11,12)13)15-4(5)3-14/h1-2,7H
InChIKeyIQYWNFNZADLPDQ-UHFFFAOYSA-N
XLogP2.57
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.12
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(difluoromethoxy)-3-(trifluoromethyl)benzonitrile
CID 115467817
3-(difluoromethyl)-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 119011943
3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 130108890
2-(2,3-dichlorophenyl)-3-(difluoromethoxy)-6-(trifluoromethyl)pyridine
CID 118830631
3-(difluoromethoxy)-5,6-di(propan-2-yl)pyridine-2-carbonitrile
CID 58874356
5-(trifluoromethyl)pyrazine-2,3-dicarbonitrile
CID 10987216
3-(difluoromethoxy)-5-methylpyridine-2-carbonitrile
CID 130982446
3-pyridin-2-yl-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 118507248
2-(difluoromethoxy)-4-[4-(trifluoromethyl)phenyl]benzonitrile
CID 175686575
3-(difluoromethoxy)-4-(trifluoromethoxy)benzonitrile
CID 121228509
3-(difluoromethoxy)pyridine-4-carbonitrile
CID 131231725
5-[2-propan-2-yloxy-5-[6-(trifluoromethyl)-2-pyridinyl]phenyl]-2H-triazole-4-carbonitrile
CID 122477904

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-6-(trifluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 3-(difluoromethoxy)-6-(trifluoromethyl)pyridine-2-carbonitrile (CID 118704023) is 3-(difluoromethoxy)-6-(trifluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-(difluoromethoxy)-6-(trifluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 3-(difluoromethoxy)-6-(trifluoromethyl)pyridine-2-carbonitrile is N#Cc1nc(C(F)(F)F)ccc1OC(F)F.
What is the InChIKey of 3-(difluoromethoxy)-6-(trifluoromethyl)pyridine-2-carbonitrile?
The InChIKey is IQYWNFNZADLPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F5N2O/c9-7(10)16-5-1-2-6(8(11,12)13)15-4(5)3-14/h1-2,7H.
What are the key properties of 3-(difluoromethoxy)-6-(trifluoromethyl)pyridine-2-carbonitrile?
3-(difluoromethoxy)-6-(trifluoromethyl)pyridine-2-carbonitrile has a molecular weight of 238.12 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-6-(trifluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 118704023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).