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

C15H15NO2 — CID 172552381

IUPACmethyl 2-(4-ethylphenyl)pyridine-4-carboxylate
SMILESCCc1ccc(-c2cc(C(=O)OC)ccn2)cc1
InChIInChI=1S/C15H15NO2/c1-3-11-4-6-12(7-5-11)14-10-13(8-9-16-14)15(17)18-2/h4-10H,3H2,1-2H3
InChIKeyFGRCHAMWYODNGZ-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.10
Rot. Bonds3

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

methyl 2-(4-ethylphenyl)pyridine-4-carboxylate (PubChem CID 172552381) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is methyl 2-(4-ethylphenyl)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-ethylphenyl)pyridine-4-carboxylate
PubChem CID172552381
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Namemethyl 2-(4-ethylphenyl)pyridine-4-carboxylate
SMILESCCc1ccc(-c2cc(C(=O)OC)ccn2)cc1
InChIInChI=1S/C15H15NO2/c1-3-11-4-6-12(7-5-11)14-10-13(8-9-16-14)15(17)18-2/h4-10H,3H2,1-2H3
InChIKeyFGRCHAMWYODNGZ-UHFFFAOYSA-N
XLogP3.10
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylphenyl)-N-methoxy-N-methylpyridine-4-carboxamide
CID 90700287
methyl 2-(1H-pyrazol-4-yl)pyridine-4-carboxylate
CID 170171280
ethane;methyl 2-ethylpyridine-4-carboxylate
CID 144656237
methyl 2-(4-chloro-3-fluorophenyl)pyridine-4-carboxylate
CID 66731831
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-[[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]methoxy]phenyl]pyridine-4-carboxylate
CID 90862125
methyl 2-(4,6-dichloropyrimidin-2-yl)pyridine-4-carboxylate
CID 131839676
methyl 2-(2-hydroxycyclohexen-1-yl)pyridine-4-carboxylate
CID 4736758
methyl 2-[4-[2-(3-formylphenyl)ethynyl]phenyl]pyridine-4-carboxylate
CID 87564014
2-(4-ethoxyphenyl)pyridine-4-carboxylic acid
CID 50999400
1-[2-(4-methoxyphenyl)-4-pyridinyl]ethanone
CID 141329056

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-ethylphenyl)pyridine-4-carboxylate?
The IUPAC name of methyl 2-(4-ethylphenyl)pyridine-4-carboxylate (CID 172552381) is methyl 2-(4-ethylphenyl)pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-(4-ethylphenyl)pyridine-4-carboxylate?
The canonical SMILES for methyl 2-(4-ethylphenyl)pyridine-4-carboxylate is CCc1ccc(-c2cc(C(=O)OC)ccn2)cc1.
What is the InChIKey of methyl 2-(4-ethylphenyl)pyridine-4-carboxylate?
The InChIKey is FGRCHAMWYODNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-3-11-4-6-12(7-5-11)14-10-13(8-9-16-14)15(17)18-2/h4-10H,3H2,1-2H3.
What are the key properties of methyl 2-(4-ethylphenyl)pyridine-4-carboxylate?
methyl 2-(4-ethylphenyl)pyridine-4-carboxylate has a molecular weight of 241.29 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-ethylphenyl)pyridine-4-carboxylate is sourced from PubChem (CID 172552381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).