3-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-2-carbonitrile

C8H3F5N2O — CID 119020295

IUPAC3-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(C(F)(F)F)c(O)cc1C(F)F
InChIInChI=1S/C8H3F5N2O/c9-7(10)3-1-5(16)6(8(11,12)13)15-4(3)2-14/h1,7,16H
InChIKeyNPTDPOUIYNCKEH-UHFFFAOYSA-N
MW238.11 g/mol
LogP2.62
Rot. Bonds1

About 3-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-2-carbonitrile

3-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-2-carbonitrile (PubChem CID 119020295) has the molecular formula C8H3F5N2O and a molecular weight of 238.11 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-2-carbonitrile
PubChem CID119020295
Molecular FormulaC8H3F5N2O
Molecular Weight238.11 g/mol
Exact Mass238.02
IUPAC Name3-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(C(F)(F)F)c(O)cc1C(F)F
InChIInChI=1S/C8H3F5N2O/c9-7(10)3-1-5(16)6(8(11,12)13)15-4(3)2-14/h1,7,16H
InChIKeyNPTDPOUIYNCKEH-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

3-(difluoromethyl)-5-methoxy-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 134669759
6-amino-5-(difluoromethyl)-2-(trifluoromethyl)pyridin-3-ol
CID 119021073
3-(difluoromethyl)-5-hydroxy-6-methoxypyridine-2-carbonitrile
CID 119008793
6-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile
CID 118996006
5-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine-2-carbonitrile
CID 134675768
3-(difluoromethyl)-6-formyl-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 118990957
6-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile
CID 118832450
5,6-dibromo-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130098862
4-(difluoromethyl)-6-(hydroxymethyl)-2-(trifluoromethyl)pyridine-3-carbonitrile
CID 133106992
6-amino-5-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-carbonitrile
CID 119014969
3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 130108890
ethyl 2-[6-cyano-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate
CID 134672370

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 3-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-2-carbonitrile (CID 119020295) is 3-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 3-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-2-carbonitrile is N#Cc1nc(C(F)(F)F)c(O)cc1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-2-carbonitrile?
The InChIKey is NPTDPOUIYNCKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F5N2O/c9-7(10)3-1-5(16)6(8(11,12)13)15-4(3)2-14/h1,7,16H.
What are the key properties of 3-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-2-carbonitrile?
3-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-2-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 3-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 119020295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).