methyl 2-(4-chloro-3-fluorophenyl)pyridine-4-carboxylate

C13H9ClFNO2 — CID 66731831

IUPACmethyl 2-(4-chloro-3-fluorophenyl)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(-c2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C13H9ClFNO2/c1-18-13(17)9-4-5-16-12(7-9)8-2-3-10(14)11(15)6-8/h2-7H,1H3
InChIKeyHQGLLCPGTWQIPK-UHFFFAOYSA-N
MW265.67 g/mol
LogP3.33
Rot. Bonds2

About methyl 2-(4-chloro-3-fluorophenyl)pyridine-4-carboxylate

methyl 2-(4-chloro-3-fluorophenyl)pyridine-4-carboxylate (PubChem CID 66731831) has the molecular formula C13H9ClFNO2 and a molecular weight of 265.67 g/mol. Its IUPAC name is methyl 2-(4-chloro-3-fluorophenyl)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-chloro-3-fluorophenyl)pyridine-4-carboxylate
PubChem CID66731831
Molecular FormulaC13H9ClFNO2
Molecular Weight265.67 g/mol
Exact Mass265.03
IUPAC Namemethyl 2-(4-chloro-3-fluorophenyl)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(-c2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C13H9ClFNO2/c1-18-13(17)9-4-5-16-12(7-9)8-2-3-10(14)11(15)6-8/h2-7H,1H3
InChIKeyHQGLLCPGTWQIPK-UHFFFAOYSA-N
XLogP3.33
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.67
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-(4-chloro-3-fluorophenyl)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-3,5-difluorophenyl)pyridine-4-carboxylate;hydrochloride
CID 66732376
methyl 2-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-4-carboxylate
CID 66732503
methyl 2-(4-chloro-3-fluorophenyl)piperidine-4-carboxylate;methyl 2-(4-chloro-3-fluorophenyl)pyridine-4-carboxylate;hydrochloride
CID 158043795
methyl 2-(2,3,4-trichlorophenyl)pyridine-4-carboxylate
CID 134636687
methyl 2-(4-ethylphenyl)pyridine-4-carboxylate
CID 172552381
methyl 2-(4,6-dichloropyrimidin-2-yl)pyridine-4-carboxylate
CID 131839676
2-(3-fluoro-4-methoxyphenyl)pyridine-4-carboxylic acid
CID 53223378
methyl 2-(1H-pyrazol-4-yl)pyridine-4-carboxylate
CID 170171280
methyl 2-(3,4-dichlorophenyl)sulfanylpyridine-4-carboxylate
CID 114075144
methyl 2-(4-chlorophenyl)-6-(4-fluorophenyl)pyridine-4-carboxylate
CID 44722916
methyl 2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxylate
CID 11164163
methyl 3-(4-fluoro-3-methylphenyl)benzoate
CID 75488193

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chloro-3-fluorophenyl)pyridine-4-carboxylate?
The IUPAC name of methyl 2-(4-chloro-3-fluorophenyl)pyridine-4-carboxylate (CID 66731831) is methyl 2-(4-chloro-3-fluorophenyl)pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-(4-chloro-3-fluorophenyl)pyridine-4-carboxylate?
The canonical SMILES for methyl 2-(4-chloro-3-fluorophenyl)pyridine-4-carboxylate is COC(=O)c1ccnc(-c2ccc(Cl)c(F)c2)c1.
What is the InChIKey of methyl 2-(4-chloro-3-fluorophenyl)pyridine-4-carboxylate?
The InChIKey is HQGLLCPGTWQIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO2/c1-18-13(17)9-4-5-16-12(7-9)8-2-3-10(14)11(15)6-8/h2-7H,1H3.
What are the key properties of methyl 2-(4-chloro-3-fluorophenyl)pyridine-4-carboxylate?
methyl 2-(4-chloro-3-fluorophenyl)pyridine-4-carboxylate has a molecular weight of 265.67 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chloro-3-fluorophenyl)pyridine-4-carboxylate is sourced from PubChem (CID 66731831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).