4-methyl-2-(2-morpholin-4-ylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile

C14H16F3N3OS — CID 690946

IUPAC4-methyl-2-(2-morpholin-4-ylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCc1cc(C(F)(F)F)nc(SCCN2CCOCC2)c1C#N
InChIInChI=1S/C14H16F3N3OS/c1-10-8-12(14(15,16)17)19-13(11(10)9-18)22-7-4-20-2-5-21-6-3-20/h8H,2-7H2,1H3
InChIKeySDOFETOHPRCXKT-UHFFFAOYSA-N
MW331.36 g/mol
LogP2.70
Rot. Bonds4

About 4-methyl-2-(2-morpholin-4-ylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile

4-methyl-2-(2-morpholin-4-ylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 690946) has the molecular formula C14H16F3N3OS and a molecular weight of 331.36 g/mol. Its IUPAC name is 4-methyl-2-(2-morpholin-4-ylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methyl-2-(2-morpholin-4-ylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID690946
Molecular FormulaC14H16F3N3OS
Molecular Weight331.36 g/mol
Exact Mass331.10
IUPAC Name4-methyl-2-(2-morpholin-4-ylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCc1cc(C(F)(F)F)nc(SCCN2CCOCC2)c1C#N
InChIInChI=1S/C14H16F3N3OS/c1-10-8-12(14(15,16)17)19-13(11(10)9-18)22-7-4-20-2-5-21-6-3-20/h8H,2-7H2,1H3
InChIKeySDOFETOHPRCXKT-UHFFFAOYSA-N
XLogP2.70
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-morpholin-4-ylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 4-methyl-2-(2-morpholin-4-ylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 690946) is 4-methyl-2-(2-morpholin-4-ylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 4-methyl-2-(2-morpholin-4-ylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 4-methyl-2-(2-morpholin-4-ylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile is Cc1cc(C(F)(F)F)nc(SCCN2CCOCC2)c1C#N.
What is the InChIKey of 4-methyl-2-(2-morpholin-4-ylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is SDOFETOHPRCXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3OS/c1-10-8-12(14(15,16)17)19-13(11(10)9-18)22-7-4-20-2-5-21-6-3-20/h8H,2-7H2,1H3.
What are the key properties of 4-methyl-2-(2-morpholin-4-ylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
4-methyl-2-(2-morpholin-4-ylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 331.36 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-morpholin-4-ylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 690946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).