2-[6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetonitrile

C8H6F2N2O — CID 118814844

IUPAC2-[6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetonitrile
SMILESN#CCc1ccc(O)c(C(F)F)n1
InChIInChI=1S/C8H6F2N2O/c9-8(10)7-6(13)2-1-5(12-7)3-4-11/h1-2,8,13H,3H2
InChIKeyOCABESHJSBANKT-UHFFFAOYSA-N
MW184.15 g/mol
LogP1.79
Rot. Bonds2

About 2-[6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetonitrile

2-[6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetonitrile (PubChem CID 118814844) has the molecular formula C8H6F2N2O and a molecular weight of 184.15 g/mol. Its IUPAC name is 2-[6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetonitrile
PubChem CID118814844
Molecular FormulaC8H6F2N2O
Molecular Weight184.15 g/mol
Exact Mass184.04
IUPAC Name2-[6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetonitrile
SMILESN#CCc1ccc(O)c(C(F)F)n1
InChIInChI=1S/C8H6F2N2O/c9-8(10)7-6(13)2-1-5(12-7)3-4-11/h1-2,8,13H,3H2
InChIKeyOCABESHJSBANKT-UHFFFAOYSA-N
XLogP1.79
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(difluoromethyl)-5-hydroxy-2-iodo-3-pyridinyl]acetonitrile
CID 118820324
2-[2-(bromomethyl)-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetonitrile
CID 118843738
2-[5-chloro-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile
CID 130071864
2-[6-(difluoromethyl)-5-hydroxy-3-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118842791
2-(2-fluoropyrimidin-4-yl)acetonitrile
CID 130909769
2-[4-chloro-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetonitrile
CID 130071882
2-(difluoromethyl)-6-iodopyridin-3-ol
CID 118803764
2-[5-chloro-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetonitrile
CID 130073242
2-[4-chloro-6-(difluoromethyl)-5-iodo-2-pyridinyl]acetonitrile
CID 118800127
2-[6-(difluoromethyl)-5-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118820361
2-[4-amino-5-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130107470
2-[6-(difluoromethyl)-5-methoxy-4-methyl-2-pyridinyl]acetonitrile
CID 118842860

Frequently Asked Questions

What is the IUPAC name of 2-[6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetonitrile (CID 118814844) is 2-[6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetonitrile is N#CCc1ccc(O)c(C(F)F)n1.
What is the InChIKey of 2-[6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetonitrile?
The InChIKey is OCABESHJSBANKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O/c9-8(10)7-6(13)2-1-5(12-7)3-4-11/h1-2,8,13H,3H2.
What are the key properties of 2-[6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetonitrile?
2-[6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetonitrile has a molecular weight of 184.15 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetonitrile is sourced from PubChem (CID 118814844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).