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

C14H6F9NO — CID 118991248

IUPAC5-[4-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine
SMILESFC(F)(F)Oc1ccc(-c2cnc(C(F)(F)F)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C14H6F9NO/c15-12(16,17)10-5-8(6-24-11(10)13(18,19)20)7-1-3-9(4-2-7)25-14(21,22)23/h1-6H
InChIKeyIOCKATKOBKOETH-UHFFFAOYSA-N
MW375.19 g/mol
LogP5.68
Rot. Bonds2

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

5-[4-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine (PubChem CID 118991248) has the molecular formula C14H6F9NO and a molecular weight of 375.19 g/mol. Its IUPAC name is 5-[4-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-[4-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine
PubChem CID118991248
Molecular FormulaC14H6F9NO
Molecular Weight375.19 g/mol
Exact Mass375.03
IUPAC Name5-[4-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine
SMILESFC(F)(F)Oc1ccc(-c2cnc(C(F)(F)F)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C14H6F9NO/c15-12(16,17)10-5-8(6-24-11(10)13(18,19)20)7-1-3-9(4-2-7)25-14(21,22)23/h1-6H
InChIKeyIOCKATKOBKOETH-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 5-[4-(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

methyl 5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyridine-2-carboxylate
CID 134635369
2-[5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134628691
2-fluoro-3-iodo-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 133089043
3-(6-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 71461082
4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzaldehyde
CID 134627713
2-[4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
CID 163408359
2-chloro-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 53224310
4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoyl chloride
CID 118845542
2-(chloromethyl)-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 154074447
6-[4-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)imidazo[1,5-a]pyridine
CID 150542588
2-methyl-5-phenylpyridine;2-methyl-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 158386173
2-(difluoromethoxy)-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 71302315

Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine?
The IUPAC name of 5-[4-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine (CID 118991248) is 5-[4-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine.
What is the SMILES notation for 5-[4-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine?
The canonical SMILES for 5-[4-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine is FC(F)(F)Oc1ccc(-c2cnc(C(F)(F)F)c(C(F)(F)F)c2)cc1.
What is the InChIKey of 5-[4-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine?
The InChIKey is IOCKATKOBKOETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F9NO/c15-12(16,17)10-5-8(6-24-11(10)13(18,19)20)7-1-3-9(4-2-7)25-14(21,22)23/h1-6H.
What are the key properties of 5-[4-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine?
5-[4-(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 5-[4-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine is sourced from PubChem (CID 118991248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).