3,4,5-tris[2-(trifluoromethoxy)phenyl]pyridine

C26H14F9NO3 — CID 134622953

IUPAC3,4,5-tris[2-(trifluoromethoxy)phenyl]pyridine
SMILESFC(F)(F)Oc1ccccc1-c1cncc(-c2ccccc2OC(F)(F)F)c1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C26H14F9NO3/c27-24(28,29)37-20-10-4-1-7-15(20)18-13-36-14-19(16-8-2-5-11-21(16)38-25(30,31)32)23(18)17-9-3-6-12-22(17)39-26(33,34)35/h1-14H
InChIKeyYRVCNSOBYQHOSU-UHFFFAOYSA-N
MW559.38 g/mol
LogP8.78
Rot. Bonds6

About 3,4,5-tris[2-(trifluoromethoxy)phenyl]pyridine

3,4,5-tris[2-(trifluoromethoxy)phenyl]pyridine (PubChem CID 134622953) has the molecular formula C26H14F9NO3 and a molecular weight of 559.38 g/mol. Its IUPAC name is 3,4,5-tris[2-(trifluoromethoxy)phenyl]pyridine.

Molecular Properties

Compound Name3,4,5-tris[2-(trifluoromethoxy)phenyl]pyridine
PubChem CID134622953
Molecular FormulaC26H14F9NO3
Molecular Weight559.38 g/mol
Exact Mass559.08
IUPAC Name3,4,5-tris[2-(trifluoromethoxy)phenyl]pyridine
SMILESFC(F)(F)Oc1ccccc1-c1cncc(-c2ccccc2OC(F)(F)F)c1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C26H14F9NO3/c27-24(28,29)37-20-10-4-1-7-15(20)18-13-36-14-19(16-8-2-5-11-21(16)38-25(30,31)32)23(18)17-9-3-6-12-22(17)39-26(33,34)35/h1-14H
InChIKeyYRVCNSOBYQHOSU-UHFFFAOYSA-N
XLogP8.78
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.38
LogP ≤ 58.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
4-methoxy-3,5-bis[2-(trifluoromethoxy)phenyl]pyridine
CID 134623318
4-bromo-5-[2-(trifluoromethoxy)phenyl]pyrimidine
CID 105370928
3-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
CID 134626254
1,3-difluoro-2-[2-(trifluoromethoxy)phenyl]benzene
CID 22617307
2-[3-fluoro-5-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetonitrile
CID 133094183
3-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
CID 134621239
3-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine
CID 134626259
1-(trifluoromethoxy)-2-[2-(trifluoromethyl)phenyl]benzene
CID 91059190
[2-[2-(trifluoromethoxy)phenyl]phenyl]azanium
CID 147037666
1-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzene
CID 90959680
1,2,4-trichloro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 118848876

Frequently Asked Questions

What is the IUPAC name of 3,4,5-tris[2-(trifluoromethoxy)phenyl]pyridine?
The IUPAC name of 3,4,5-tris[2-(trifluoromethoxy)phenyl]pyridine (CID 134622953) is 3,4,5-tris[2-(trifluoromethoxy)phenyl]pyridine.
What is the SMILES notation for 3,4,5-tris[2-(trifluoromethoxy)phenyl]pyridine?
The canonical SMILES for 3,4,5-tris[2-(trifluoromethoxy)phenyl]pyridine is FC(F)(F)Oc1ccccc1-c1cncc(-c2ccccc2OC(F)(F)F)c1-c1ccccc1OC(F)(F)F.
What is the InChIKey of 3,4,5-tris[2-(trifluoromethoxy)phenyl]pyridine?
The InChIKey is YRVCNSOBYQHOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14F9NO3/c27-24(28,29)37-20-10-4-1-7-15(20)18-13-36-14-19(16-8-2-5-11-21(16)38-25(30,31)32)23(18)17-9-3-6-12-22(17)39-26(33,34)35/h1-14H.
What are the key properties of 3,4,5-tris[2-(trifluoromethoxy)phenyl]pyridine?
3,4,5-tris[2-(trifluoromethoxy)phenyl]pyridine has a molecular weight of 559.38 g/mol, XLogP of 8.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-tris[2-(trifluoromethoxy)phenyl]pyridine is sourced from PubChem (CID 134622953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).