methyl 5-chloro-3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylate

C14H9ClF3NO2 — CID 134635499

IUPACmethyl 5-chloro-3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ncc(Cl)cc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C14H9ClF3NO2/c1-21-13(20)12-10(6-8(15)7-19-12)9-4-2-3-5-11(9)14(16,17)18/h2-7H,1H3
InChIKeyAMIJZLLXVZRMSP-UHFFFAOYSA-N
MW315.68 g/mol
LogP4.21
Rot. Bonds2

About methyl 5-chloro-3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylate

methyl 5-chloro-3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylate (PubChem CID 134635499) has the molecular formula C14H9ClF3NO2 and a molecular weight of 315.68 g/mol. Its IUPAC name is methyl 5-chloro-3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylate
PubChem CID134635499
Molecular FormulaC14H9ClF3NO2
Molecular Weight315.68 g/mol
Exact Mass315.03
IUPAC Namemethyl 5-chloro-3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ncc(Cl)cc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C14H9ClF3NO2/c1-21-13(20)12-10(6-8(15)7-19-12)9-4-2-3-5-11(9)14(16,17)18/h2-7H,1H3
InChIKeyAMIJZLLXVZRMSP-UHFFFAOYSA-N
XLogP4.21
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.68
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 5-chloro-3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
The IUPAC name of methyl 5-chloro-3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylate (CID 134635499) is methyl 5-chloro-3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-chloro-3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-chloro-3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylate is COC(=O)c1ncc(Cl)cc1-c1ccccc1C(F)(F)F.
What is the InChIKey of methyl 5-chloro-3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
The InChIKey is AMIJZLLXVZRMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NO2/c1-21-13(20)12-10(6-8(15)7-19-12)9-4-2-3-5-11(9)14(16,17)18/h2-7H,1H3.
What are the key properties of methyl 5-chloro-3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
methyl 5-chloro-3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylate has a molecular weight of 315.68 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylate is sourced from PubChem (CID 134635499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).