2-[2-(2-methylphenyl)morpholin-4-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile

C18H16F3N3O — CID 133354102

IUPAC2-[2-(2-methylphenyl)morpholin-4-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCc1ccccc1C1CN(c2nc(C(F)(F)F)ccc2C#N)CCO1
InChIInChI=1S/C18H16F3N3O/c1-12-4-2-3-5-14(12)15-11-24(8-9-25-15)17-13(10-22)6-7-16(23-17)18(19,20)21/h2-7,15H,8-9,11H2,1H3
InChIKeyPINMFJONZLKAQK-UHFFFAOYSA-N
MW347.34 g/mol
LogP3.86
Rot. Bonds2

About 2-[2-(2-methylphenyl)morpholin-4-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile

2-[2-(2-methylphenyl)morpholin-4-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 133354102) has the molecular formula C18H16F3N3O and a molecular weight of 347.34 g/mol. Its IUPAC name is 2-[2-(2-methylphenyl)morpholin-4-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(2-methylphenyl)morpholin-4-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID133354102
Molecular FormulaC18H16F3N3O
Molecular Weight347.34 g/mol
Exact Mass347.12
IUPAC Name2-[2-(2-methylphenyl)morpholin-4-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCc1ccccc1C1CN(c2nc(C(F)(F)F)ccc2C#N)CCO1
InChIInChI=1S/C18H16F3N3O/c1-12-4-2-3-5-14(12)15-11-24(8-9-25-15)17-13(10-22)6-7-16(23-17)18(19,20)21/h2-7,15H,8-9,11H2,1H3
InChIKeyPINMFJONZLKAQK-UHFFFAOYSA-N
XLogP3.86
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-(2-methylphenyl)morpholin-4-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylphenyl)morpholin-4-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-[2-(2-methylphenyl)morpholin-4-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 133354102) is 2-[2-(2-methylphenyl)morpholin-4-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-(2-methylphenyl)morpholin-4-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-[2-(2-methylphenyl)morpholin-4-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile is Cc1ccccc1C1CN(c2nc(C(F)(F)F)ccc2C#N)CCO1.
What is the InChIKey of 2-[2-(2-methylphenyl)morpholin-4-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is PINMFJONZLKAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O/c1-12-4-2-3-5-14(12)15-11-24(8-9-25-15)17-13(10-22)6-7-16(23-17)18(19,20)21/h2-7,15H,8-9,11H2,1H3.
What are the key properties of 2-[2-(2-methylphenyl)morpholin-4-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-[2-(2-methylphenyl)morpholin-4-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 347.34 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylphenyl)morpholin-4-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 133354102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).