methyl 2-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-4-carboxylate

C14H9F4NO2 — CID 66732503

IUPACmethyl 2-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(-c2ccc(C(F)(F)F)c(F)c2)c1
InChIInChI=1S/C14H9F4NO2/c1-21-13(20)9-4-5-19-12(7-9)8-2-3-10(11(15)6-8)14(16,17)18/h2-7H,1H3
InChIKeyUPHCJUREJKMYIQ-UHFFFAOYSA-N
MW299.22 g/mol
LogP3.69
Rot. Bonds2

About methyl 2-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-4-carboxylate

methyl 2-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-4-carboxylate (PubChem CID 66732503) has the molecular formula C14H9F4NO2 and a molecular weight of 299.22 g/mol. Its IUPAC name is methyl 2-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-4-carboxylate
PubChem CID66732503
Molecular FormulaC14H9F4NO2
Molecular Weight299.22 g/mol
Exact Mass299.06
IUPAC Namemethyl 2-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(-c2ccc(C(F)(F)F)c(F)c2)c1
InChIInChI=1S/C14H9F4NO2/c1-21-13(20)9-4-5-19-12(7-9)8-2-3-10(11(15)6-8)14(16,17)18/h2-7H,1H3
InChIKeyUPHCJUREJKMYIQ-UHFFFAOYSA-N
XLogP3.69
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.22
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-4-carboxylate 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 2-(4-chloro-3-fluorophenyl)pyridine-4-carboxylate
CID 66731831
methyl 2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxylate
CID 11164163
methyl 2-(4-chloro-3,5-difluorophenyl)pyridine-4-carboxylate;hydrochloride
CID 66732376
methyl 2-(4-ethylphenyl)pyridine-4-carboxylate
CID 172552381
2-(3-fluoro-4-methoxyphenyl)pyridine-4-carboxylic acid
CID 53223378
methyl 2-(1H-pyrazol-4-yl)pyridine-4-carboxylate
CID 170171280
methyl 2-(trifluoromethylsulfonyloxy)pyridine-4-carboxylate
CID 176901166
CID 145169423
CID 145169423
3-[3-fluoro-4-(trifluoromethyl)phenyl]benzamide
CID 68758850
methyl 3-phenyl-4-(trifluoromethyl)benzoate
CID 11044155
methyl 2,6-bis[4-(trifluoromethyl)phenyl]pyridine-4-carboxylate
CID 134634052
methyl 2-(4,6-dichloropyrimidin-2-yl)pyridine-4-carboxylate
CID 131839676

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-4-carboxylate?
The IUPAC name of methyl 2-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-4-carboxylate (CID 66732503) is methyl 2-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-4-carboxylate is COC(=O)c1ccnc(-c2ccc(C(F)(F)F)c(F)c2)c1.
What is the InChIKey of methyl 2-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-4-carboxylate?
The InChIKey is UPHCJUREJKMYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F4NO2/c1-21-13(20)9-4-5-19-12(7-9)8-2-3-10(11(15)6-8)14(16,17)18/h2-7H,1H3.
What are the key properties of methyl 2-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-4-carboxylate?
methyl 2-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-4-carboxylate has a molecular weight of 299.22 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-4-carboxylate is sourced from PubChem (CID 66732503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).