2-[3-hydroxy-2-methyl-6-(trifluoromethoxy)-4-pyridinyl]acetonitrile

C9H7F3N2O2 — CID 130112096

IUPAC2-[3-hydroxy-2-methyl-6-(trifluoromethoxy)-4-pyridinyl]acetonitrile
SMILESCc1nc(OC(F)(F)F)cc(CC#N)c1O
InChIInChI=1S/C9H7F3N2O2/c1-5-8(15)6(2-3-13)4-7(14-5)16-9(10,11)12/h4,15H,2H2,1H3
InChIKeyXYQJILWDRIPUKJ-UHFFFAOYSA-N
MW232.16 g/mol
LogP2.06
Rot. Bonds2

About 2-[3-hydroxy-2-methyl-6-(trifluoromethoxy)-4-pyridinyl]acetonitrile

2-[3-hydroxy-2-methyl-6-(trifluoromethoxy)-4-pyridinyl]acetonitrile (PubChem CID 130112096) has the molecular formula C9H7F3N2O2 and a molecular weight of 232.16 g/mol. Its IUPAC name is 2-[3-hydroxy-2-methyl-6-(trifluoromethoxy)-4-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[3-hydroxy-2-methyl-6-(trifluoromethoxy)-4-pyridinyl]acetonitrile
PubChem CID130112096
Molecular FormulaC9H7F3N2O2
Molecular Weight232.16 g/mol
Exact Mass232.05
IUPAC Name2-[3-hydroxy-2-methyl-6-(trifluoromethoxy)-4-pyridinyl]acetonitrile
SMILESCc1nc(OC(F)(F)F)cc(CC#N)c1O
InChIInChI=1S/C9H7F3N2O2/c1-5-8(15)6(2-3-13)4-7(14-5)16-9(10,11)12/h4,15H,2H2,1H3
InChIKeyXYQJILWDRIPUKJ-UHFFFAOYSA-N
XLogP2.06
TPSA66.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.16
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(aminomethyl)-2-methyl-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134670667
2-[3-(chloromethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 134668042
2-[2-(bromomethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118843848
[3-methoxy-2-methyl-6-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134663125
2-[2-(chloromethyl)-4-methyl-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118827115
2-[3-hydroxy-4-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134679216
3-hydroxy-2-methyl-6-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 130112262
2-[3-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 134668297
2-[2-iodo-6-methyl-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile
CID 130112883
2-[2-(chloromethyl)-6-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile
CID 118821184
ethyl 2-[3-iodo-2-methyl-6-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134659970
2-[5-(cyanomethyl)-2,6-dimethyl-3-pyridinyl]acetonitrile
CID 68939181

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxy-2-methyl-6-(trifluoromethoxy)-4-pyridinyl]acetonitrile?
The IUPAC name of 2-[3-hydroxy-2-methyl-6-(trifluoromethoxy)-4-pyridinyl]acetonitrile (CID 130112096) is 2-[3-hydroxy-2-methyl-6-(trifluoromethoxy)-4-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[3-hydroxy-2-methyl-6-(trifluoromethoxy)-4-pyridinyl]acetonitrile?
The canonical SMILES for 2-[3-hydroxy-2-methyl-6-(trifluoromethoxy)-4-pyridinyl]acetonitrile is Cc1nc(OC(F)(F)F)cc(CC#N)c1O.
What is the InChIKey of 2-[3-hydroxy-2-methyl-6-(trifluoromethoxy)-4-pyridinyl]acetonitrile?
The InChIKey is XYQJILWDRIPUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O2/c1-5-8(15)6(2-3-13)4-7(14-5)16-9(10,11)12/h4,15H,2H2,1H3.
What are the key properties of 2-[3-hydroxy-2-methyl-6-(trifluoromethoxy)-4-pyridinyl]acetonitrile?
2-[3-hydroxy-2-methyl-6-(trifluoromethoxy)-4-pyridinyl]acetonitrile has a molecular weight of 232.16 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxy-2-methyl-6-(trifluoromethoxy)-4-pyridinyl]acetonitrile is sourced from PubChem (CID 130112096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).