2-[6-methyl-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile

C9H7F3N2O — CID 133094996

IUPAC2-[6-methyl-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
SMILESCc1nc(CC#N)ccc1OC(F)(F)F
InChIInChI=1S/C9H7F3N2O/c1-6-8(15-9(10,11)12)3-2-7(14-6)4-5-13/h2-3H,4H2,1H3
InChIKeyJYFTYEZWISXTJW-UHFFFAOYSA-N
MW216.16 g/mol
LogP2.35
Rot. Bonds2

About 2-[6-methyl-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile

2-[6-methyl-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile (PubChem CID 133094996) has the molecular formula C9H7F3N2O and a molecular weight of 216.16 g/mol. Its IUPAC name is 2-[6-methyl-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-methyl-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
PubChem CID133094996
Molecular FormulaC9H7F3N2O
Molecular Weight216.16 g/mol
Exact Mass216.05
IUPAC Name2-[6-methyl-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
SMILESCc1nc(CC#N)ccc1OC(F)(F)F
InChIInChI=1S/C9H7F3N2O/c1-6-8(15-9(10,11)12)3-2-7(14-6)4-5-13/h2-3H,4H2,1H3
InChIKeyJYFTYEZWISXTJW-UHFFFAOYSA-N
XLogP2.35
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.16
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-methyl-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile (CID 133094996) is 2-[6-methyl-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-methyl-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-methyl-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile is Cc1nc(CC#N)ccc1OC(F)(F)F.
What is the InChIKey of 2-[6-methyl-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile?
The InChIKey is JYFTYEZWISXTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O/c1-6-8(15-9(10,11)12)3-2-7(14-6)4-5-13/h2-3H,4H2,1H3.
What are the key properties of 2-[6-methyl-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile?
2-[6-methyl-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile has a molecular weight of 216.16 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 133094996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).