4-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]morpholine

C16H16F3N3O — CID 130473520

IUPAC4-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]morpholine
SMILESCc1cncc(-c2ccc(N3CCOCC3)c(C(F)(F)F)n2)c1
InChIInChI=1S/C16H16F3N3O/c1-11-8-12(10-20-9-11)13-2-3-14(15(21-13)16(17,18)19)22-4-6-23-7-5-22/h2-3,8-10H,4-7H2,1H3
InChIKeyGOJZKSDMVHGMIY-UHFFFAOYSA-N
MW323.32 g/mol
LogP3.31
Rot. Bonds2

About 4-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]morpholine

4-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]morpholine (PubChem CID 130473520) has the molecular formula C16H16F3N3O and a molecular weight of 323.32 g/mol. Its IUPAC name is 4-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]morpholine
PubChem CID130473520
Molecular FormulaC16H16F3N3O
Molecular Weight323.32 g/mol
Exact Mass323.12
IUPAC Name4-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]morpholine
SMILESCc1cncc(-c2ccc(N3CCOCC3)c(C(F)(F)F)n2)c1
InChIInChI=1S/C16H16F3N3O/c1-11-8-12(10-20-9-11)13-2-3-14(15(21-13)16(17,18)19)22-4-6-23-7-5-22/h2-3,8-10H,4-7H2,1H3
InChIKeyGOJZKSDMVHGMIY-UHFFFAOYSA-N
XLogP3.31
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]morpholine 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 4-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]morpholine?
The IUPAC name of 4-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]morpholine (CID 130473520) is 4-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]morpholine.
What is the SMILES notation for 4-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]morpholine?
The canonical SMILES for 4-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]morpholine is Cc1cncc(-c2ccc(N3CCOCC3)c(C(F)(F)F)n2)c1.
What is the InChIKey of 4-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]morpholine?
The InChIKey is GOJZKSDMVHGMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O/c1-11-8-12(10-20-9-11)13-2-3-14(15(21-13)16(17,18)19)22-4-6-23-7-5-22/h2-3,8-10H,4-7H2,1H3.
What are the key properties of 4-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]morpholine?
4-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]morpholine has a molecular weight of 323.32 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]morpholine is sourced from PubChem (CID 130473520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).