2-[6-(trifluoromethyl)-3-pyridinyl]acetonitrile

C8H5F3N2 — CID 50851127

IUPAC2-[6-(trifluoromethyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C8H5F3N2/c9-8(10,11)7-2-1-6(3-4-12)5-13-7/h1-2,5H,3H2
InChIKeyMUURVYOEMFYHRI-UHFFFAOYSA-N
MW186.14 g/mol
LogP2.17
Rot. Bonds1

About 2-[6-(trifluoromethyl)-3-pyridinyl]acetonitrile

2-[6-(trifluoromethyl)-3-pyridinyl]acetonitrile (PubChem CID 50851127) has the molecular formula C8H5F3N2 and a molecular weight of 186.14 g/mol. Its IUPAC name is 2-[6-(trifluoromethyl)-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-(trifluoromethyl)-3-pyridinyl]acetonitrile
PubChem CID50851127
Molecular FormulaC8H5F3N2
Molecular Weight186.14 g/mol
Exact Mass186.04
IUPAC Name2-[6-(trifluoromethyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C8H5F3N2/c9-8(10,11)7-2-1-6(3-4-12)5-13-7/h1-2,5H,3H2
InChIKeyMUURVYOEMFYHRI-UHFFFAOYSA-N
XLogP2.17
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.14
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(trifluoromethyl)-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-(trifluoromethyl)-3-pyridinyl]acetonitrile (CID 50851127) is 2-[6-(trifluoromethyl)-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-(trifluoromethyl)-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-(trifluoromethyl)-3-pyridinyl]acetonitrile is N#CCc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 2-[6-(trifluoromethyl)-3-pyridinyl]acetonitrile?
The InChIKey is MUURVYOEMFYHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2/c9-8(10,11)7-2-1-6(3-4-12)5-13-7/h1-2,5H,3H2.
What are the key properties of 2-[6-(trifluoromethyl)-3-pyridinyl]acetonitrile?
2-[6-(trifluoromethyl)-3-pyridinyl]acetonitrile has a molecular weight of 186.14 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(trifluoromethyl)-3-pyridinyl]acetonitrile is sourced from PubChem (CID 50851127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).