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

C20H13F6NO3 — CID 134623318

IUPAC4-methoxy-3,5-bis[2-(trifluoromethoxy)phenyl]pyridine
SMILESCOc1c(-c2ccccc2OC(F)(F)F)cncc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C20H13F6NO3/c1-28-18-14(12-6-2-4-8-16(12)29-19(21,22)23)10-27-11-15(18)13-7-3-5-9-17(13)30-20(24,25)26/h2-11H,1H3
InChIKeyNIVBQOZDEGORBS-UHFFFAOYSA-N
MW429.32 g/mol
LogP6.22
Rot. Bonds5

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

4-methoxy-3,5-bis[2-(trifluoromethoxy)phenyl]pyridine (PubChem CID 134623318) has the molecular formula C20H13F6NO3 and a molecular weight of 429.32 g/mol. Its IUPAC name is 4-methoxy-3,5-bis[2-(trifluoromethoxy)phenyl]pyridine.

Molecular Properties

Compound Name4-methoxy-3,5-bis[2-(trifluoromethoxy)phenyl]pyridine
PubChem CID134623318
Molecular FormulaC20H13F6NO3
Molecular Weight429.32 g/mol
Exact Mass429.08
IUPAC Name4-methoxy-3,5-bis[2-(trifluoromethoxy)phenyl]pyridine
SMILESCOc1c(-c2ccccc2OC(F)(F)F)cncc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C20H13F6NO3/c1-28-18-14(12-6-2-4-8-16(12)29-19(21,22)23)10-27-11-15(18)13-7-3-5-9-17(13)30-20(24,25)26/h2-11H,1H3
InChIKeyNIVBQOZDEGORBS-UHFFFAOYSA-N
XLogP6.22
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.32
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,4,5-tris[2-(trifluoromethoxy)phenyl]pyridine
CID 134622953
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
4-bromo-5-[2-(trifluoromethoxy)phenyl]pyrimidine
CID 105370928
4-fluoro-1-methoxy-2-[2-(trifluoromethoxy)phenyl]benzene
CID 134630084
3-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
CID 134626254
2-methoxy-3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine
CID 134620611
2-[3-fluoro-5-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetonitrile
CID 133094183
6-methoxy-3-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine
CID 134631300
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

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3,5-bis[2-(trifluoromethoxy)phenyl]pyridine?
The IUPAC name of 4-methoxy-3,5-bis[2-(trifluoromethoxy)phenyl]pyridine (CID 134623318) is 4-methoxy-3,5-bis[2-(trifluoromethoxy)phenyl]pyridine.
What is the SMILES notation for 4-methoxy-3,5-bis[2-(trifluoromethoxy)phenyl]pyridine?
The canonical SMILES for 4-methoxy-3,5-bis[2-(trifluoromethoxy)phenyl]pyridine is COc1c(-c2ccccc2OC(F)(F)F)cncc1-c1ccccc1OC(F)(F)F.
What is the InChIKey of 4-methoxy-3,5-bis[2-(trifluoromethoxy)phenyl]pyridine?
The InChIKey is NIVBQOZDEGORBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F6NO3/c1-28-18-14(12-6-2-4-8-16(12)29-19(21,22)23)10-27-11-15(18)13-7-3-5-9-17(13)30-20(24,25)26/h2-11H,1H3.
What are the key properties of 4-methoxy-3,5-bis[2-(trifluoromethoxy)phenyl]pyridine?
4-methoxy-3,5-bis[2-(trifluoromethoxy)phenyl]pyridine has a molecular weight of 429.32 g/mol, XLogP of 6.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3,5-bis[2-(trifluoromethoxy)phenyl]pyridine is sourced from PubChem (CID 134623318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).