2-[3-(trifluoromethoxy)-2-pyridinyl]acetonitrile

C8H5F3N2O — CID 130046963

IUPAC2-[3-(trifluoromethoxy)-2-pyridinyl]acetonitrile
SMILESN#CCc1ncccc1OC(F)(F)F
InChIInChI=1S/C8H5F3N2O/c9-8(10,11)14-7-2-1-5-13-6(7)3-4-12/h1-2,5H,3H2
InChIKeyJSMNNWHHQQKXOH-UHFFFAOYSA-N
MW202.13 g/mol
LogP2.05
Rot. Bonds2

About 2-[3-(trifluoromethoxy)-2-pyridinyl]acetonitrile

2-[3-(trifluoromethoxy)-2-pyridinyl]acetonitrile (PubChem CID 130046963) has the molecular formula C8H5F3N2O and a molecular weight of 202.13 g/mol. Its IUPAC name is 2-[3-(trifluoromethoxy)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[3-(trifluoromethoxy)-2-pyridinyl]acetonitrile
PubChem CID130046963
Molecular FormulaC8H5F3N2O
Molecular Weight202.13 g/mol
Exact Mass202.04
IUPAC Name2-[3-(trifluoromethoxy)-2-pyridinyl]acetonitrile
SMILESN#CCc1ncccc1OC(F)(F)F
InChIInChI=1S/C8H5F3N2O/c9-8(10,11)14-7-2-1-5-13-6(7)3-4-12/h1-2,5H,3H2
InChIKeyJSMNNWHHQQKXOH-UHFFFAOYSA-N
XLogP2.05
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.13
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyanomethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133095482
2-[4-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133095823
2-[6-chloro-3-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile
CID 133094133
2-[5-(trifluoromethoxy)naphthalen-1-yl]acetonitrile
CID 166641126
2-[2-methoxy-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 133094960
2-[6-methyl-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133094996
2-[4-(chloromethyl)-3-iodo-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134659116
2-[4-iodo-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 130092527
2-[2-ethyl-3-(trifluoromethoxy)phenyl]acetonitrile
CID 170999109
2-[3-(bromomethyl)-4-iodo-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134681279
2-[6-fluoro-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile
CID 133093982
2-[6-iodo-3-(trifluoromethoxy)-5-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 134667886

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethoxy)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[3-(trifluoromethoxy)-2-pyridinyl]acetonitrile (CID 130046963) is 2-[3-(trifluoromethoxy)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[3-(trifluoromethoxy)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[3-(trifluoromethoxy)-2-pyridinyl]acetonitrile is N#CCc1ncccc1OC(F)(F)F.
What is the InChIKey of 2-[3-(trifluoromethoxy)-2-pyridinyl]acetonitrile?
The InChIKey is JSMNNWHHQQKXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O/c9-8(10,11)14-7-2-1-5-13-6(7)3-4-12/h1-2,5H,3H2.
What are the key properties of 2-[3-(trifluoromethoxy)-2-pyridinyl]acetonitrile?
2-[3-(trifluoromethoxy)-2-pyridinyl]acetonitrile has a molecular weight of 202.13 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethoxy)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 130046963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).