3-fluoro-4-[methoxy-[4-(trifluoromethoxy)phenyl]methyl]-5-(triazol-2-yl)pyridine

C16H12F4N4O2 — CID 156817565

IUPAC3-fluoro-4-[methoxy-[4-(trifluoromethoxy)phenyl]methyl]-5-(triazol-2-yl)pyridine
SMILESCOC(c1ccc(OC(F)(F)F)cc1)c1c(F)cncc1-n1nccn1
InChIInChI=1S/C16H12F4N4O2/c1-25-15(10-2-4-11(5-3-10)26-16(18,19)20)14-12(17)8-21-9-13(14)24-22-6-7-23-24/h2-9,15H,1H3
InChIKeyLCPNGAIMMVXJPC-UHFFFAOYSA-N
MW368.29 g/mol
LogP3.44
Rot. Bonds5

About 3-fluoro-4-[methoxy-[4-(trifluoromethoxy)phenyl]methyl]-5-(triazol-2-yl)pyridine

3-fluoro-4-[methoxy-[4-(trifluoromethoxy)phenyl]methyl]-5-(triazol-2-yl)pyridine (PubChem CID 156817565) has the molecular formula C16H12F4N4O2 and a molecular weight of 368.29 g/mol. Its IUPAC name is 3-fluoro-4-[methoxy-[4-(trifluoromethoxy)phenyl]methyl]-5-(triazol-2-yl)pyridine.

Molecular Properties

Compound Name3-fluoro-4-[methoxy-[4-(trifluoromethoxy)phenyl]methyl]-5-(triazol-2-yl)pyridine
PubChem CID156817565
Molecular FormulaC16H12F4N4O2
Molecular Weight368.29 g/mol
Exact Mass368.09
IUPAC Name3-fluoro-4-[methoxy-[4-(trifluoromethoxy)phenyl]methyl]-5-(triazol-2-yl)pyridine
SMILESCOC(c1ccc(OC(F)(F)F)cc1)c1c(F)cncc1-n1nccn1
InChIInChI=1S/C16H12F4N4O2/c1-25-15(10-2-4-11(5-3-10)26-16(18,19)20)14-12(17)8-21-9-13(14)24-22-6-7-23-24/h2-9,15H,1H3
InChIKeyLCPNGAIMMVXJPC-UHFFFAOYSA-N
XLogP3.44
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.29
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-fluoro-4-[methoxy-[4-(trifluoromethoxy)phenyl]methyl]-5-(triazol-2-yl)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-5-(4-methyltriazol-2-yl)-4-[[4-(trifluoromethoxy)phenyl]methyl]pyridine
CID 166551867
3,5-difluoro-4-[4-(trifluoromethoxy)phenoxy]pyridine
CID 90008186
(R)-pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanamine
CID 171246372
(5-fluoro-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 115804926
5-[2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]pyrimidine
CID 123427876
(S)-(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239584
(1S)-1-[4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 86346348
2-methyl-1-[4-(trifluoromethoxy)phenyl]prop-2-en-1-amine
CID 105005386
(R)-(2,3,5,6-tetrafluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171249914
(2-methylpyrazol-3-yl)-[4-(trifluoromethoxy)phenyl]methanol
CID 63963696
(1R)-1-[4-(trifluoromethoxy)phenyl]ethanethiol
CID 28974994
(1S)-2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 66511880

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[methoxy-[4-(trifluoromethoxy)phenyl]methyl]-5-(triazol-2-yl)pyridine?
The IUPAC name of 3-fluoro-4-[methoxy-[4-(trifluoromethoxy)phenyl]methyl]-5-(triazol-2-yl)pyridine (CID 156817565) is 3-fluoro-4-[methoxy-[4-(trifluoromethoxy)phenyl]methyl]-5-(triazol-2-yl)pyridine.
What is the SMILES notation for 3-fluoro-4-[methoxy-[4-(trifluoromethoxy)phenyl]methyl]-5-(triazol-2-yl)pyridine?
The canonical SMILES for 3-fluoro-4-[methoxy-[4-(trifluoromethoxy)phenyl]methyl]-5-(triazol-2-yl)pyridine is COC(c1ccc(OC(F)(F)F)cc1)c1c(F)cncc1-n1nccn1.
What is the InChIKey of 3-fluoro-4-[methoxy-[4-(trifluoromethoxy)phenyl]methyl]-5-(triazol-2-yl)pyridine?
The InChIKey is LCPNGAIMMVXJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4N4O2/c1-25-15(10-2-4-11(5-3-10)26-16(18,19)20)14-12(17)8-21-9-13(14)24-22-6-7-23-24/h2-9,15H,1H3.
What are the key properties of 3-fluoro-4-[methoxy-[4-(trifluoromethoxy)phenyl]methyl]-5-(triazol-2-yl)pyridine?
3-fluoro-4-[methoxy-[4-(trifluoromethoxy)phenyl]methyl]-5-(triazol-2-yl)pyridine has a molecular weight of 368.29 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[methoxy-[4-(trifluoromethoxy)phenyl]methyl]-5-(triazol-2-yl)pyridine is sourced from PubChem (CID 156817565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).