ethyl 6-(3-fluorophenyl)-2-methylpyridine-3-carboxylate

C15H14FNO2 — CID 69039398

IUPACethyl 6-(3-fluorophenyl)-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2cccc(F)c2)nc1C
InChIInChI=1S/C15H14FNO2/c1-3-19-15(18)13-7-8-14(17-10(13)2)11-5-4-6-12(16)9-11/h4-9H,3H2,1-2H3
InChIKeyLDELIJYOULZLPS-UHFFFAOYSA-N
MW259.28 g/mol
LogP3.37
Rot. Bonds3

About ethyl 6-(3-fluorophenyl)-2-methylpyridine-3-carboxylate

ethyl 6-(3-fluorophenyl)-2-methylpyridine-3-carboxylate (PubChem CID 69039398) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is ethyl 6-(3-fluorophenyl)-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(3-fluorophenyl)-2-methylpyridine-3-carboxylate
PubChem CID69039398
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Nameethyl 6-(3-fluorophenyl)-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2cccc(F)c2)nc1C
InChIInChI=1S/C15H14FNO2/c1-3-19-15(18)13-7-8-14(17-10(13)2)11-5-4-6-12(16)9-11/h4-9H,3H2,1-2H3
InChIKeyLDELIJYOULZLPS-UHFFFAOYSA-N
XLogP3.37
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 6-(3-chlorophenyl)-2-methylpyridine-3-carboxylate
CID 112561955
ethyl 2-methyl-6-(3-nitrophenyl)pyridine-3-carboxylate
CID 115917495
ethyl 6-(3,5-dimethylphenyl)-2-methylpyridine-3-carboxylate
CID 115917484
ethyl 2-methyl-6-pyridin-3-ylpyridine-3-carboxylate
CID 112561966
ethyl 6-(2-chloro-4-fluorophenyl)-2-methylpyridine-3-carboxylate
CID 115917522
ethyl 2-ethyl-6-(3-methylphenyl)pyridine-3-carboxylate
CID 116532844
ethyl 2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carboxylate
CID 71653208
ethyl 6-(4-ethoxyphenyl)-2-methylpyridine-3-carboxylate
CID 115917504
ethyl 4-(difluoromethyl)-2-(3-fluorophenyl)pyrimidine-5-carboxylate
CID 102973187
ethyl 5-(3-fluorophenyl)-1,2-oxazole-4-carboxylate
CID 22831692
1-[6-(3-ethoxyphenyl)-2-methyl-3-pyridinyl]ethanone
CID 82453012
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate
CID 55463613

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(3-fluorophenyl)-2-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 6-(3-fluorophenyl)-2-methylpyridine-3-carboxylate (CID 69039398) is ethyl 6-(3-fluorophenyl)-2-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(3-fluorophenyl)-2-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(3-fluorophenyl)-2-methylpyridine-3-carboxylate is CCOC(=O)c1ccc(-c2cccc(F)c2)nc1C.
What is the InChIKey of ethyl 6-(3-fluorophenyl)-2-methylpyridine-3-carboxylate?
The InChIKey is LDELIJYOULZLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-3-19-15(18)13-7-8-14(17-10(13)2)11-5-4-6-12(16)9-11/h4-9H,3H2,1-2H3.
What are the key properties of ethyl 6-(3-fluorophenyl)-2-methylpyridine-3-carboxylate?
ethyl 6-(3-fluorophenyl)-2-methylpyridine-3-carboxylate has a molecular weight of 259.28 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(3-fluorophenyl)-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 69039398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).