ethyl 6-(2-fluorophenyl)-2-methyl-4-phenylpyridine-3-carboxylate

C21H18FNO2 — CID 132563026

IUPACethyl 6-(2-fluorophenyl)-2-methyl-4-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)cc(-c2ccccc2F)nc1C
InChIInChI=1S/C21H18FNO2/c1-3-25-21(24)20-14(2)23-19(16-11-7-8-12-18(16)22)13-17(20)15-9-5-4-6-10-15/h4-13H,3H2,1-2H3
InChIKeyGPYXQHQSLBBOFW-UHFFFAOYSA-N
MW335.38 g/mol
LogP5.04
Rot. Bonds4

About ethyl 6-(2-fluorophenyl)-2-methyl-4-phenylpyridine-3-carboxylate

ethyl 6-(2-fluorophenyl)-2-methyl-4-phenylpyridine-3-carboxylate (PubChem CID 132563026) has the molecular formula C21H18FNO2 and a molecular weight of 335.38 g/mol. Its IUPAC name is ethyl 6-(2-fluorophenyl)-2-methyl-4-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(2-fluorophenyl)-2-methyl-4-phenylpyridine-3-carboxylate
PubChem CID132563026
Molecular FormulaC21H18FNO2
Molecular Weight335.38 g/mol
Exact Mass335.13
IUPAC Nameethyl 6-(2-fluorophenyl)-2-methyl-4-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)cc(-c2ccccc2F)nc1C
InChIInChI=1S/C21H18FNO2/c1-3-25-21(24)20-14(2)23-19(16-11-7-8-12-18(16)22)13-17(20)15-9-5-4-6-10-15/h4-13H,3H2,1-2H3
InChIKeyGPYXQHQSLBBOFW-UHFFFAOYSA-N
XLogP5.04
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.38
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 6-(2-fluorophenyl)-2-methyl-4-phenylpyridine-3-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

ethyl 2-methyl-4-(3-nitrophenyl)-6-phenylpyridine-3-carboxylate
CID 10248079
ethyl 5-(2-fluorophenyl)-3-phenyl-1H-pyrrole-2-carboxylate
CID 141297667
ethyl 6-(butylamino)-2-methyl-4-phenylpyridine-3-carboxylate
CID 71591622
ethyl 2,6-difluorobenzoate
CID 519631
ethyl 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylate
CID 162343089
ethyl 4-(4-fluorophenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
CID 10687624
ethyl 2-(3-methylphenyl)-4,6-diphenylpyridine-3-carboxylate
CID 167433740
ethyl 2-methyl-6-phenylbenzoate
CID 86249615
ethyl 2-chloro-4-phenylcyclohepta[b]pyrrole-3-carboxylate
CID 10519135
ethyl 2-chloro-8-phenylcyclohepta[b]pyrrole-3-carboxylate
CID 10614988
ethyl 3-(2-fluorophenyl)-6-oxo-1H-pyridazine-5-carboxylate
CID 121205182
diethyl 6-benzyl-4-phenylpyridine-2,5-dicarboxylate
CID 102202429

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2-fluorophenyl)-2-methyl-4-phenylpyridine-3-carboxylate?
The IUPAC name of ethyl 6-(2-fluorophenyl)-2-methyl-4-phenylpyridine-3-carboxylate (CID 132563026) is ethyl 6-(2-fluorophenyl)-2-methyl-4-phenylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(2-fluorophenyl)-2-methyl-4-phenylpyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(2-fluorophenyl)-2-methyl-4-phenylpyridine-3-carboxylate is CCOC(=O)c1c(-c2ccccc2)cc(-c2ccccc2F)nc1C.
What is the InChIKey of ethyl 6-(2-fluorophenyl)-2-methyl-4-phenylpyridine-3-carboxylate?
The InChIKey is GPYXQHQSLBBOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO2/c1-3-25-21(24)20-14(2)23-19(16-11-7-8-12-18(16)22)13-17(20)15-9-5-4-6-10-15/h4-13H,3H2,1-2H3.
What are the key properties of ethyl 6-(2-fluorophenyl)-2-methyl-4-phenylpyridine-3-carboxylate?
ethyl 6-(2-fluorophenyl)-2-methyl-4-phenylpyridine-3-carboxylate has a molecular weight of 335.38 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2-fluorophenyl)-2-methyl-4-phenylpyridine-3-carboxylate is sourced from PubChem (CID 132563026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).