4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]but-3-enenitrile

C11H9F3N2O — CID 170800582

IUPAC4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]but-3-enenitrile
SMILESN#CCC=Cc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C11H9F3N2O/c12-11(13,14)8-17-10-5-4-9(7-16-10)3-1-2-6-15/h1,3-5,7H,2,8H2
InChIKeyAHNTVXHZTAWLAY-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.95
Rot. Bonds4

About 4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]but-3-enenitrile

4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]but-3-enenitrile (PubChem CID 170800582) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is 4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]but-3-enenitrile.

Molecular Properties

Compound Name4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]but-3-enenitrile
PubChem CID170800582
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]but-3-enenitrile
SMILESN#CCC=Cc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C11H9F3N2O/c12-11(13,14)8-17-10-5-4-9(7-16-10)3-1-2-6-15/h1,3-5,7H,2,8H2
InChIKeyAHNTVXHZTAWLAY-UHFFFAOYSA-N
XLogP2.95
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,2,2-trifluoroethoxy)pyridine-3-thiol
CID 123782720
4-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]but-3-enenitrile
CID 170800313
5-(iodomethyl)-2-(2,2,2-trifluoroethoxy)pyridine
CID 162562842
4-[4-fluoro-3-(trifluoromethyl)phenyl]but-3-enenitrile
CID 170800175
methyl 5-(3-cyanoprop-1-enyl)pyridine-2-carboxylate
CID 170800108
4-(5-formyl-2-pyridinyl)but-3-enenitrile
CID 170799439
(2E,4E)-5-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]penta-2,4-dien-1-ol
CID 10517665
4-pyridin-3-ylbut-3-enenitrile
CID 170799077
4-[2-(trifluoromethyl)-3-pyridinyl]but-3-enenitrile
CID 170800060
1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine
CID 58629100
N-ethyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride
CID 174836554
5-(4-bromobut-1-ynyl)-2-(2,2,2-trifluoroethoxy)pyridine
CID 170466988

Frequently Asked Questions

What is the IUPAC name of 4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]but-3-enenitrile?
The IUPAC name of 4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]but-3-enenitrile (CID 170800582) is 4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]but-3-enenitrile.
What is the SMILES notation for 4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]but-3-enenitrile?
The canonical SMILES for 4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]but-3-enenitrile is N#CCC=Cc1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of 4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]but-3-enenitrile?
The InChIKey is AHNTVXHZTAWLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c12-11(13,14)8-17-10-5-4-9(7-16-10)3-1-2-6-15/h1,3-5,7H,2,8H2.
What are the key properties of 4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]but-3-enenitrile?
4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]but-3-enenitrile has a molecular weight of 242.20 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]but-3-enenitrile is sourced from PubChem (CID 170800582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).