2-[2-methoxy-5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile

C15H11F3N2O2 — CID 133094235

IUPAC2-[2-methoxy-5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile
SMILESCOc1ncc(-c2cccc(OC(F)(F)F)c2)cc1CC#N
InChIInChI=1S/C15H11F3N2O2/c1-21-14-11(5-6-19)7-12(9-20-14)10-3-2-4-13(8-10)22-15(16,17)18/h2-4,7-9H,5H2,1H3
InChIKeyJSEBGAUYNLSEPV-UHFFFAOYSA-N
MW308.26 g/mol
LogP3.72
Rot. Bonds4

About 2-[2-methoxy-5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile

2-[2-methoxy-5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile (PubChem CID 133094235) has the molecular formula C15H11F3N2O2 and a molecular weight of 308.26 g/mol. Its IUPAC name is 2-[2-methoxy-5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[2-methoxy-5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile
PubChem CID133094235
Molecular FormulaC15H11F3N2O2
Molecular Weight308.26 g/mol
Exact Mass308.08
IUPAC Name2-[2-methoxy-5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile
SMILESCOc1ncc(-c2cccc(OC(F)(F)F)c2)cc1CC#N
InChIInChI=1S/C15H11F3N2O2/c1-21-14-11(5-6-19)7-12(9-20-14)10-3-2-4-13(8-10)22-15(16,17)18/h2-4,7-9H,5H2,1H3
InChIKeyJSEBGAUYNLSEPV-UHFFFAOYSA-N
XLogP3.72
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methoxy-5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile
CID 133094237
2-[2-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 133094978
2-(2-methoxy-5-pyridin-3-yl-3-pyridinyl)acetonitrile
CID 131869741
2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile
CID 134627473
2-[2-amino-3-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetonitrile
CID 119009018
2-[3-(trifluoromethoxy)phenyl]acetonitrile
CID 517906
6-methoxy-5-[3-(trifluoromethoxy)phenyl]pyridin-3-amine
CID 133086740
3,5-bis[3-(trifluoromethoxy)phenyl]pyridine
CID 134623402
2-[5-(chloromethyl)-2-methoxy-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134679452
2-[5-(aminomethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134670121
2-methoxy-5-nitro-3-[3-(trifluoromethoxy)phenyl]pyridine
CID 134620874
2-[5-iodo-6-methoxy-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134666922

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[2-methoxy-5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile (CID 133094235) is 2-[2-methoxy-5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[2-methoxy-5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[2-methoxy-5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile is COc1ncc(-c2cccc(OC(F)(F)F)c2)cc1CC#N.
What is the InChIKey of 2-[2-methoxy-5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile?
The InChIKey is JSEBGAUYNLSEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O2/c1-21-14-11(5-6-19)7-12(9-20-14)10-3-2-4-13(8-10)22-15(16,17)18/h2-4,7-9H,5H2,1H3.
What are the key properties of 2-[2-methoxy-5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile?
2-[2-methoxy-5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile has a molecular weight of 308.26 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile is sourced from PubChem (CID 133094235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).