2-[4-chloro-2-[[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methoxy]phenyl]pyridine

C26H19ClF3NO2 — CID 91502824

IUPAC2-[4-chloro-2-[[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methoxy]phenyl]pyridine
SMILESCc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1COc1cc(Cl)ccc1-c1ccccn1
InChIInChI=1S/C26H19ClF3NO2/c1-17-14-19(18-7-10-22(11-8-18)33-26(28,29)30)5-6-20(17)16-32-25-15-21(27)9-12-23(25)24-4-2-3-13-31-24/h2-15H,16H2,1H3
InChIKeySYKJOCWPXLEXFW-UHFFFAOYSA-N
MW469.89 g/mol
LogP7.86
Rot. Bonds6

About 2-[4-chloro-2-[[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methoxy]phenyl]pyridine

2-[4-chloro-2-[[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methoxy]phenyl]pyridine (PubChem CID 91502824) has the molecular formula C26H19ClF3NO2 and a molecular weight of 469.89 g/mol. Its IUPAC name is 2-[4-chloro-2-[[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methoxy]phenyl]pyridine.

Molecular Properties

Compound Name2-[4-chloro-2-[[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methoxy]phenyl]pyridine
PubChem CID91502824
Molecular FormulaC26H19ClF3NO2
Molecular Weight469.89 g/mol
Exact Mass469.11
IUPAC Name2-[4-chloro-2-[[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methoxy]phenyl]pyridine
SMILESCc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1COc1cc(Cl)ccc1-c1ccccn1
InChIInChI=1S/C26H19ClF3NO2/c1-17-14-19(18-7-10-22(11-8-18)33-26(28,29)30)5-6-20(17)16-32-25-15-21(27)9-12-23(25)24-4-2-3-13-31-24/h2-15H,16H2,1H3
InChIKeySYKJOCWPXLEXFW-UHFFFAOYSA-N
XLogP7.86
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.89
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[4-[2-[5-(4-Chlorophenyl)pyridin-2-yl]ethynyl]phenoxy]ethyl]-4-(trifluoromethyl)piperidin-4-ol
CID 11504274
US10155760, Example 88
CID 118420226
1-[4-(13-Chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-3-[2-(trifluoromethyl)phenoxy]propan-2-ol
CID 155545274
2-[(4-Chlorophenyl)-[[1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-yl]methoxy]methyl]pyridine
CID 121412943
3-[[4-(3-Chlorophenoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methyl]pyridine
CID 56665875
[4-[(4-Chlorophenyl)-pyridin-2-ylmethyl]phenyl] acetate
CID 162669343
2-[2-Methyl-4-(4-methylphenyl)phenoxy]-5-(trifluoromethyl)pyridine
CID 2435081
1-[4-[3-chloro-4-[3-[6-methoxy-5-(methylaminomethyl)-2-pyridinyl]-2-(trifluoromethyl)phenyl]-2-pyridinyl]-2-methoxyphenyl]-N-methylmethanamine
CID 170697785
2-[2-Ethoxy-6-(4-fluorophenyl)phenyl]pyridine
CID 101456130
2-(2-Butoxy-5-(trifluormethyl)phenyl)pyridin
CID 129890506
2-[3-[Difluoro-(4-methoxyphenyl)methyl]-4-methylphenyl]pyridine
CID 162398388
2-[5-[Difluoro-(4-methoxyphenyl)methyl]-2-methoxyphenyl]pyridine
CID 162398389

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methoxy]phenyl]pyridine?
The IUPAC name of 2-[4-chloro-2-[[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methoxy]phenyl]pyridine (CID 91502824) is 2-[4-chloro-2-[[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methoxy]phenyl]pyridine.
What is the SMILES notation for 2-[4-chloro-2-[[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methoxy]phenyl]pyridine?
The canonical SMILES for 2-[4-chloro-2-[[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methoxy]phenyl]pyridine is Cc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1COc1cc(Cl)ccc1-c1ccccn1.
What is the InChIKey of 2-[4-chloro-2-[[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methoxy]phenyl]pyridine?
The InChIKey is SYKJOCWPXLEXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClF3NO2/c1-17-14-19(18-7-10-22(11-8-18)33-26(28,29)30)5-6-20(17)16-32-25-15-21(27)9-12-23(25)24-4-2-3-13-31-24/h2-15H,16H2,1H3.
What are the key properties of 2-[4-chloro-2-[[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methoxy]phenyl]pyridine?
2-[4-chloro-2-[[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methoxy]phenyl]pyridine has a molecular weight of 469.89 g/mol, XLogP of 7.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-[[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methoxy]phenyl]pyridine is sourced from PubChem (CID 91502824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).