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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Related Compounds

[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl] 4-methoxybenzoate
CID 1477319
4-[(4-methoxyphenyl)methyl]-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole
CID 174415280
1-methoxy-4-[[2-(trifluoromethyl)phenyl]methyl]benzene
CID 71499549
2-(4-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carbaldehyde
CID 172913849
2-chloro-6-[(4-methoxyphenyl)methoxy]-4-(trifluoromethyl)pyridine
CID 102715155
4-tert-butyl-2-[(4-methoxyphenyl)methyl]phenol
CID 150183157
2-benzylaniline;3,5-bis(trifluoromethyl)aniline;4-methoxyaniline
CID 159451197
N-[2-cyano-5-(trifluoromethyl)-3-pyridinyl]-N,2-bis(4-methoxyphenyl)acetamide
CID 177182216
4-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylbenzene
CID 15654338
2-[(4-methoxyphenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide
CID 175749223
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2475003
5-fluoro-2-[(4-methoxyphenyl)methyl]aniline
CID 18794484

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).