6-[3-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine

C14H6F9NO — CID 118854616

IUPAC6-[3-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine
SMILESFC(F)(F)Oc1cccc(-c2ccc(C(F)(F)F)c(C(F)(F)F)n2)c1
InChIInChI=1S/C14H6F9NO/c15-12(16,17)9-4-5-10(24-11(9)13(18,19)20)7-2-1-3-8(6-7)25-14(21,22)23/h1-6H
InChIKeyPQSIKGGXNQXGCP-UHFFFAOYSA-N
MW375.19 g/mol
LogP5.68
Rot. Bonds2

About 6-[3-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine

6-[3-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine (PubChem CID 118854616) has the molecular formula C14H6F9NO and a molecular weight of 375.19 g/mol. Its IUPAC name is 6-[3-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine.

Molecular Properties

Compound Name6-[3-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine
PubChem CID118854616
Molecular FormulaC14H6F9NO
Molecular Weight375.19 g/mol
Exact Mass375.03
IUPAC Name6-[3-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine
SMILESFC(F)(F)Oc1cccc(-c2ccc(C(F)(F)F)c(C(F)(F)F)n2)c1
InChIInChI=1S/C14H6F9NO/c15-12(16,17)9-4-5-10(24-11(9)13(18,19)20)7-2-1-3-8(6-7)25-14(21,22)23/h1-6H
InChIKeyPQSIKGGXNQXGCP-UHFFFAOYSA-N
XLogP5.68
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.19
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-[3-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-6-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine
CID 133089391
2-(difluoromethoxy)-6-[3-(trifluoromethoxy)phenyl]pyridine
CID 118814623
6-[2-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine
CID 134617611
2-(difluoromethoxy)-4-[3-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)benzene
CID 134622401
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
2-bromo-6-[3-(trifluoromethoxy)phenyl]pyrazine
CID 166176460
4-fluoro-1-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzene
CID 134628195
[2-[3-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-4-pyridinyl]boronic acid
CID 87406203
3,4-bis[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine
CID 134622968
4-[3-(trifluoromethoxy)phenyl]pyridine
CID 46317167
3,5-bis[3-(trifluoromethoxy)phenyl]pyridine
CID 134623402
2-methyl-N-[6-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]propanamide
CID 71415618

Frequently Asked Questions

What is the IUPAC name of 6-[3-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine?
The IUPAC name of 6-[3-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine (CID 118854616) is 6-[3-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine.
What is the SMILES notation for 6-[3-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine?
The canonical SMILES for 6-[3-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine is FC(F)(F)Oc1cccc(-c2ccc(C(F)(F)F)c(C(F)(F)F)n2)c1.
What is the InChIKey of 6-[3-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine?
The InChIKey is PQSIKGGXNQXGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F9NO/c15-12(16,17)9-4-5-10(24-11(9)13(18,19)20)7-2-1-3-8(6-7)25-14(21,22)23/h1-6H.
What are the key properties of 6-[3-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine?
6-[3-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine has a molecular weight of 375.19 g/mol, XLogP of 5.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine is sourced from PubChem (CID 118854616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).