5-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)-2-(2,2,4-trimethylpentoxy)pyridine

C20H25F3N2O — CID 123487201

IUPAC5-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)-2-(2,2,4-trimethylpentoxy)pyridine
SMILESCc1cc(-c2cnc(OCC(C)(C)CC(C)C)c(C(F)(F)F)c2)ccn1
InChIInChI=1S/C20H25F3N2O/c1-13(2)10-19(4,5)12-26-18-17(20(21,22)23)9-16(11-25-18)15-6-7-24-14(3)8-15/h6-9,11,13H,10,12H2,1-5H3
InChIKeyJJMQUBRSQAGGNM-UHFFFAOYSA-N
MW366.43 g/mol
LogP5.92
Rot. Bonds6

About 5-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)-2-(2,2,4-trimethylpentoxy)pyridine

5-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)-2-(2,2,4-trimethylpentoxy)pyridine (PubChem CID 123487201) has the molecular formula C20H25F3N2O and a molecular weight of 366.43 g/mol. Its IUPAC name is 5-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)-2-(2,2,4-trimethylpentoxy)pyridine.

Molecular Properties

Compound Name5-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)-2-(2,2,4-trimethylpentoxy)pyridine
PubChem CID123487201
Molecular FormulaC20H25F3N2O
Molecular Weight366.43 g/mol
Exact Mass366.19
IUPAC Name5-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)-2-(2,2,4-trimethylpentoxy)pyridine
SMILESCc1cc(-c2cnc(OCC(C)(C)CC(C)C)c(C(F)(F)F)c2)ccn1
InChIInChI=1S/C20H25F3N2O/c1-13(2)10-19(4,5)12-26-18-17(20(21,22)23)9-16(11-25-18)15-6-7-24-14(3)8-15/h6-9,11,13H,10,12H2,1-5H3
InChIKeyJJMQUBRSQAGGNM-UHFFFAOYSA-N
XLogP5.92
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.43
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)-2-(2,2,4-trimethylpentoxy)pyridine?
The IUPAC name of 5-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)-2-(2,2,4-trimethylpentoxy)pyridine (CID 123487201) is 5-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)-2-(2,2,4-trimethylpentoxy)pyridine.
What is the SMILES notation for 5-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)-2-(2,2,4-trimethylpentoxy)pyridine?
The canonical SMILES for 5-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)-2-(2,2,4-trimethylpentoxy)pyridine is Cc1cc(-c2cnc(OCC(C)(C)CC(C)C)c(C(F)(F)F)c2)ccn1.
What is the InChIKey of 5-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)-2-(2,2,4-trimethylpentoxy)pyridine?
The InChIKey is JJMQUBRSQAGGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N2O/c1-13(2)10-19(4,5)12-26-18-17(20(21,22)23)9-16(11-25-18)15-6-7-24-14(3)8-15/h6-9,11,13H,10,12H2,1-5H3.
What are the key properties of 5-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)-2-(2,2,4-trimethylpentoxy)pyridine?
5-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)-2-(2,2,4-trimethylpentoxy)pyridine has a molecular weight of 366.43 g/mol, XLogP of 5.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)-2-(2,2,4-trimethylpentoxy)pyridine is sourced from PubChem (CID 123487201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).