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

C8H3F5N2O — CID 118827552

IUPAC2-(difluoromethyl)-3-hydroxy-6-(trifluoromethyl)pyridine-4-carbonitrile
SMILESN#Cc1cc(C(F)(F)F)nc(C(F)F)c1O
InChIInChI=1S/C8H3F5N2O/c9-7(10)5-6(16)3(2-14)1-4(15-5)8(11,12)13/h1,7,16H
InChIKeyHXYOFCXPFXWLFS-UHFFFAOYSA-N
MW238.11 g/mol
LogP2.62
Rot. Bonds1

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

2-(difluoromethyl)-3-hydroxy-6-(trifluoromethyl)pyridine-4-carbonitrile (PubChem CID 118827552) has the molecular formula C8H3F5N2O and a molecular weight of 238.11 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-hydroxy-6-(trifluoromethyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(difluoromethyl)-3-hydroxy-6-(trifluoromethyl)pyridine-4-carbonitrile
PubChem CID118827552
Molecular FormulaC8H3F5N2O
Molecular Weight238.11 g/mol
Exact Mass238.02
IUPAC Name2-(difluoromethyl)-3-hydroxy-6-(trifluoromethyl)pyridine-4-carbonitrile
SMILESN#Cc1cc(C(F)(F)F)nc(C(F)F)c1O
InChIInChI=1S/C8H3F5N2O/c9-7(10)5-6(16)3(2-14)1-4(15-5)8(11,12)13/h1,7,16H
InChIKeyHXYOFCXPFXWLFS-UHFFFAOYSA-N
XLogP2.62
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.11
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(difluoromethyl)-3-formyl-6-(trifluoromethyl)pyridine-4-carbonitrile
CID 133106254
6-amino-2-(difluoromethyl)-3-hydroxypyridine-4-carbonitrile
CID 130103207
2-(difluoromethyl)-4-iodo-6-(trifluoromethyl)pyridin-3-ol
CID 118831592
4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 134668564
2-[4-cyano-3-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118850473
4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 134682035
2-[2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118820470
methyl 3-cyano-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-4-carboxylate
CID 133106210
6-bromo-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carbonitrile
CID 119017989
2-[4-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 134672891
2-(difluoromethyl)-6-fluoro-5-hydroxypyridine-3-carbonitrile
CID 130075872
5-cyano-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 133107036

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-hydroxy-6-(trifluoromethyl)pyridine-4-carbonitrile?
The IUPAC name of 2-(difluoromethyl)-3-hydroxy-6-(trifluoromethyl)pyridine-4-carbonitrile (CID 118827552) is 2-(difluoromethyl)-3-hydroxy-6-(trifluoromethyl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(difluoromethyl)-3-hydroxy-6-(trifluoromethyl)pyridine-4-carbonitrile?
The canonical SMILES for 2-(difluoromethyl)-3-hydroxy-6-(trifluoromethyl)pyridine-4-carbonitrile is N#Cc1cc(C(F)(F)F)nc(C(F)F)c1O.
What is the InChIKey of 2-(difluoromethyl)-3-hydroxy-6-(trifluoromethyl)pyridine-4-carbonitrile?
The InChIKey is HXYOFCXPFXWLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F5N2O/c9-7(10)5-6(16)3(2-14)1-4(15-5)8(11,12)13/h1,7,16H.
What are the key properties of 2-(difluoromethyl)-3-hydroxy-6-(trifluoromethyl)pyridine-4-carbonitrile?
2-(difluoromethyl)-3-hydroxy-6-(trifluoromethyl)pyridine-4-carbonitrile has a molecular weight of 238.11 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3-hydroxy-6-(trifluoromethyl)pyridine-4-carbonitrile is sourced from PubChem (CID 118827552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).