2,3-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridine

C22H20F3NO2 — CID 175075241

IUPAC2,3-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridine
SMILESCOc1ccc(Cc2cc(C(F)(F)F)cnc2Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C22H20F3NO2/c1-27-19-7-3-15(4-8-19)11-17-13-18(22(23,24)25)14-26-21(17)12-16-5-9-20(28-2)10-6-16/h3-10,13-14H,11-12H2,1-2H3
InChIKeyXDINKMJFPAOKAK-UHFFFAOYSA-N
MW387.40 g/mol
LogP5.30
Rot. Bonds6

About 2,3-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridine

2,3-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridine (PubChem CID 175075241) has the molecular formula C22H20F3NO2 and a molecular weight of 387.40 g/mol. Its IUPAC name is 2,3-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2,3-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridine
PubChem CID175075241
Molecular FormulaC22H20F3NO2
Molecular Weight387.40 g/mol
Exact Mass387.14
IUPAC Name2,3-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridine
SMILESCOc1ccc(Cc2cc(C(F)(F)F)cnc2Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C22H20F3NO2/c1-27-19-7-3-15(4-8-19)11-17-13-18(22(23,24)25)14-26-21(17)12-16-5-9-20(28-2)10-6-16/h3-10,13-14H,11-12H2,1-2H3
InChIKeyXDINKMJFPAOKAK-UHFFFAOYSA-N
XLogP5.30
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.40
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 2,3-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridine (CID 175075241) is 2,3-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2,3-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2,3-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridine is COc1ccc(Cc2cc(C(F)(F)F)cnc2Cc2ccc(OC)cc2)cc1.
What is the InChIKey of 2,3-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridine?
The InChIKey is XDINKMJFPAOKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3NO2/c1-27-19-7-3-15(4-8-19)11-17-13-18(22(23,24)25)14-26-21(17)12-16-5-9-20(28-2)10-6-16/h3-10,13-14H,11-12H2,1-2H3.
What are the key properties of 2,3-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridine?
2,3-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridine has a molecular weight of 387.40 g/mol, XLogP of 5.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 175075241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).