2-[2-methoxy-5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile

C15H11F3N2O2 — CID 133094237

IUPAC2-[2-methoxy-5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile
SMILESCOc1ncc(-c2ccc(OC(F)(F)F)cc2)cc1CC#N
InChIInChI=1S/C15H11F3N2O2/c1-21-14-11(6-7-19)8-12(9-20-14)10-2-4-13(5-3-10)22-15(16,17)18/h2-5,8-9H,6H2,1H3
InChIKeyWNPZYLUMHKWATE-UHFFFAOYSA-N
MW308.26 g/mol
LogP3.72
Rot. Bonds4

About 2-[2-methoxy-5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile

2-[2-methoxy-5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile (PubChem CID 133094237) has the molecular formula C15H11F3N2O2 and a molecular weight of 308.26 g/mol. Its IUPAC name is 2-[2-methoxy-5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[2-methoxy-5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile
PubChem CID133094237
Molecular FormulaC15H11F3N2O2
Molecular Weight308.26 g/mol
Exact Mass308.08
IUPAC Name2-[2-methoxy-5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile
SMILESCOc1ncc(-c2ccc(OC(F)(F)F)cc2)cc1CC#N
InChIInChI=1S/C15H11F3N2O2/c1-21-14-11(6-7-19)8-12(9-20-14)10-2-4-13(5-3-10)22-15(16,17)18/h2-5,8-9H,6H2,1H3
InChIKeyWNPZYLUMHKWATE-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

Analyze 2-[2-methoxy-5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-methoxy-5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile
CID 133094235
2-[2-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 133094978
2-(2-methoxy-5-pyridin-3-yl-3-pyridinyl)acetonitrile
CID 131869741
2-[2,5-bis[4-(trifluoromethoxy)phenyl]-4-pyridinyl]acetonitrile
CID 133094062
2-[2-chloro-5-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]acetonitrile
CID 119011409
2-[5-iodo-6-methoxy-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134666922
2-[5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetonitrile
CID 130097445
2-[5-(2,5-dichlorophenyl)-2-methoxy-3-pyridinyl]acetonitrile
CID 133094539
6-methoxy-5-[4-(trifluoromethoxy)phenyl]pyridin-3-amine
CID 133086741
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-[5-(bromomethyl)-6-methoxy-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134672104

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[2-methoxy-5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile (CID 133094237) is 2-[2-methoxy-5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[2-methoxy-5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[2-methoxy-5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile is COc1ncc(-c2ccc(OC(F)(F)F)cc2)cc1CC#N.
What is the InChIKey of 2-[2-methoxy-5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile?
The InChIKey is WNPZYLUMHKWATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O2/c1-21-14-11(6-7-19)8-12(9-20-14)10-2-4-13(5-3-10)22-15(16,17)18/h2-5,8-9H,6H2,1H3.
What are the key properties of 2-[2-methoxy-5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile?
2-[2-methoxy-5-[4-(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-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile is sourced from PubChem (CID 133094237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).