2-[4-(difluoromethyl)-5-hydroxy-2-(trifluoromethyl)-3-pyridinyl]acetonitrile

C9H5F5N2O — CID 118851080

IUPAC2-[4-(difluoromethyl)-5-hydroxy-2-(trifluoromethyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1c(C(F)(F)F)ncc(O)c1C(F)F
InChIInChI=1S/C9H5F5N2O/c10-8(11)6-4(1-2-15)7(9(12,13)14)16-3-5(6)17/h3,8,17H,1H2
InChIKeyOYKXLTTURUCQBM-UHFFFAOYSA-N
MW252.14 g/mol
LogP2.81
Rot. Bonds2

About 2-[4-(difluoromethyl)-5-hydroxy-2-(trifluoromethyl)-3-pyridinyl]acetonitrile

2-[4-(difluoromethyl)-5-hydroxy-2-(trifluoromethyl)-3-pyridinyl]acetonitrile (PubChem CID 118851080) has the molecular formula C9H5F5N2O and a molecular weight of 252.14 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-5-hydroxy-2-(trifluoromethyl)-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-5-hydroxy-2-(trifluoromethyl)-3-pyridinyl]acetonitrile
PubChem CID118851080
Molecular FormulaC9H5F5N2O
Molecular Weight252.14 g/mol
Exact Mass252.03
IUPAC Name2-[4-(difluoromethyl)-5-hydroxy-2-(trifluoromethyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1c(C(F)(F)F)ncc(O)c1C(F)F
InChIInChI=1S/C9H5F5N2O/c10-8(11)6-4(1-2-15)7(9(12,13)14)16-3-5(6)17/h3,8,17H,1H2
InChIKeyOYKXLTTURUCQBM-UHFFFAOYSA-N
XLogP2.81
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.14
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(difluoromethyl)-5-methyl-2-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 118801473
2-[2-(difluoromethyl)-5-hydroxy-3-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118814850
2-[3-amino-5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 134685819
2-[3-bromo-5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 134685821
2-[4-(difluoromethyl)-5-hydroxy-3-iodo-2-pyridinyl]acetonitrile
CID 118852004
4-(difluoromethyl)-5-(hydroxymethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133106995
2-[3-(difluoromethyl)-2-iodo-5-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 133100436
5-(difluoromethyl)-4-(hydroxymethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133107002
2-[2-bromo-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 119003826
2-[4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetonitrile
CID 118851957
2-[3-chloro-2-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetonitrile
CID 130072557
[4-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)-3-pyridinyl]methanol
CID 130082460

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-5-hydroxy-2-(trifluoromethyl)-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[4-(difluoromethyl)-5-hydroxy-2-(trifluoromethyl)-3-pyridinyl]acetonitrile (CID 118851080) is 2-[4-(difluoromethyl)-5-hydroxy-2-(trifluoromethyl)-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[4-(difluoromethyl)-5-hydroxy-2-(trifluoromethyl)-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[4-(difluoromethyl)-5-hydroxy-2-(trifluoromethyl)-3-pyridinyl]acetonitrile is N#CCc1c(C(F)(F)F)ncc(O)c1C(F)F.
What is the InChIKey of 2-[4-(difluoromethyl)-5-hydroxy-2-(trifluoromethyl)-3-pyridinyl]acetonitrile?
The InChIKey is OYKXLTTURUCQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F5N2O/c10-8(11)6-4(1-2-15)7(9(12,13)14)16-3-5(6)17/h3,8,17H,1H2.
What are the key properties of 2-[4-(difluoromethyl)-5-hydroxy-2-(trifluoromethyl)-3-pyridinyl]acetonitrile?
2-[4-(difluoromethyl)-5-hydroxy-2-(trifluoromethyl)-3-pyridinyl]acetonitrile has a molecular weight of 252.14 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-5-hydroxy-2-(trifluoromethyl)-3-pyridinyl]acetonitrile is sourced from PubChem (CID 118851080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).