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

C13H10FNO2 — CID 54226711

IUPACmethyl 4-(4-fluorophenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(F)cc2)ccn1
InChIInChI=1S/C13H10FNO2/c1-17-13(16)12-8-10(6-7-15-12)9-2-4-11(14)5-3-9/h2-8H,1H3
InChIKeyQGIVYJIOIXHZDB-UHFFFAOYSA-N
MW231.23 g/mol
LogP2.67
Rot. Bonds2

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

methyl 4-(4-fluorophenyl)pyridine-2-carboxylate (PubChem CID 54226711) has the molecular formula C13H10FNO2 and a molecular weight of 231.23 g/mol. Its IUPAC name is methyl 4-(4-fluorophenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-fluorophenyl)pyridine-2-carboxylate
PubChem CID54226711
Molecular FormulaC13H10FNO2
Molecular Weight231.23 g/mol
Exact Mass231.07
IUPAC Namemethyl 4-(4-fluorophenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(F)cc2)ccn1
InChIInChI=1S/C13H10FNO2/c1-17-13(16)12-8-10(6-7-15-12)9-2-4-11(14)5-3-9/h2-8H,1H3
InChIKeyQGIVYJIOIXHZDB-UHFFFAOYSA-N
XLogP2.67
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 4-(4-fluorophenyl)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

Related Compounds

methyl 4-(4-phenylphenyl)pyridine-2-carboxylate
CID 70853401
methyl 4-pyridin-4-ylpyridine-2-carboxylate
CID 46317488
methyl 4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 117222258
disodium;methyl 4-fluoropyridine-2-carboxylate;dichloride
CID 172849137
methyl 4-(2,3-difluorophenyl)pyridine-2-carboxylate
CID 134638044
methyl 4-methylpyridine-2-carboxylate
CID 10920693
methyl 4-(3-acetylphenyl)pyridine-2-carboxylate
CID 164543652
methyl 4-aminopyridine-2-carboxylate
CID 3759117
methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 67325329
methyl 4-[(2,4-difluorophenyl)methylamino]pyridine-2-carboxylate
CID 66285458
ethene;methyl 4-aminopyridine-2-carboxylate
CID 177218086
methyl 4-[3-(2-aminoethyl)phenyl]pyridine-2-carboxylate
CID 110282305

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-fluorophenyl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-(4-fluorophenyl)pyridine-2-carboxylate (CID 54226711) is methyl 4-(4-fluorophenyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-(4-fluorophenyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-(4-fluorophenyl)pyridine-2-carboxylate is COC(=O)c1cc(-c2ccc(F)cc2)ccn1.
What is the InChIKey of methyl 4-(4-fluorophenyl)pyridine-2-carboxylate?
The InChIKey is QGIVYJIOIXHZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO2/c1-17-13(16)12-8-10(6-7-15-12)9-2-4-11(14)5-3-9/h2-8H,1H3.
What are the key properties of methyl 4-(4-fluorophenyl)pyridine-2-carboxylate?
methyl 4-(4-fluorophenyl)pyridine-2-carboxylate has a molecular weight of 231.23 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-fluorophenyl)pyridine-2-carboxylate is sourced from PubChem (CID 54226711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).