ethyl 5-(2-fluoro-4-methylphenyl)pyridine-3-carboxylate

C15H14FNO2 — CID 67338384

IUPACethyl 5-(2-fluoro-4-methylphenyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(-c2ccc(C)cc2F)c1
InChIInChI=1S/C15H14FNO2/c1-3-19-15(18)12-7-11(8-17-9-12)13-5-4-10(2)6-14(13)16/h4-9H,3H2,1-2H3
InChIKeyZOLHHXHSCCYNSH-UHFFFAOYSA-N
MW259.28 g/mol
LogP3.37
Rot. Bonds3

About ethyl 5-(2-fluoro-4-methylphenyl)pyridine-3-carboxylate

ethyl 5-(2-fluoro-4-methylphenyl)pyridine-3-carboxylate (PubChem CID 67338384) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is ethyl 5-(2-fluoro-4-methylphenyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-fluoro-4-methylphenyl)pyridine-3-carboxylate
PubChem CID67338384
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Nameethyl 5-(2-fluoro-4-methylphenyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(-c2ccc(C)cc2F)c1
InChIInChI=1S/C15H14FNO2/c1-3-19-15(18)12-7-11(8-17-9-12)13-5-4-10(2)6-14(13)16/h4-9H,3H2,1-2H3
InChIKeyZOLHHXHSCCYNSH-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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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-fluoro-4-methylphenyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 5-(2-fluoro-4-methylphenyl)pyridine-3-carboxylate (CID 67338384) is ethyl 5-(2-fluoro-4-methylphenyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(2-fluoro-4-methylphenyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(2-fluoro-4-methylphenyl)pyridine-3-carboxylate is CCOC(=O)c1cncc(-c2ccc(C)cc2F)c1.
What is the InChIKey of ethyl 5-(2-fluoro-4-methylphenyl)pyridine-3-carboxylate?
The InChIKey is ZOLHHXHSCCYNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-3-19-15(18)12-7-11(8-17-9-12)13-5-4-10(2)6-14(13)16/h4-9H,3H2,1-2H3.
What are the key properties of ethyl 5-(2-fluoro-4-methylphenyl)pyridine-3-carboxylate?
ethyl 5-(2-fluoro-4-methylphenyl)pyridine-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 5-(2-fluoro-4-methylphenyl)pyridine-3-carboxylate is sourced from PubChem (CID 67338384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).