ethyl 4-(4-ethoxyphenyl)pyridine-2-carboxylate

C16H17NO3 — CID 162649952

IUPACethyl 4-(4-ethoxyphenyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(OCC)cc2)ccn1
InChIInChI=1S/C16H17NO3/c1-3-19-14-7-5-12(6-8-14)13-9-10-17-15(11-13)16(18)20-4-2/h5-11H,3-4H2,1-2H3
InChIKeySHJKOMBEHKNUGX-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.32
Rot. Bonds5

About ethyl 4-(4-ethoxyphenyl)pyridine-2-carboxylate

ethyl 4-(4-ethoxyphenyl)pyridine-2-carboxylate (PubChem CID 162649952) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is ethyl 4-(4-ethoxyphenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-ethoxyphenyl)pyridine-2-carboxylate
PubChem CID162649952
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Nameethyl 4-(4-ethoxyphenyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(OCC)cc2)ccn1
InChIInChI=1S/C16H17NO3/c1-3-19-14-7-5-12(6-8-14)13-9-10-17-15(11-13)16(18)20-4-2/h5-11H,3-4H2,1-2H3
InChIKeySHJKOMBEHKNUGX-UHFFFAOYSA-N
XLogP3.32
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl 4-ethoxypyridine-2,6-dicarboxylate
CID 46708188
ethyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate
CID 75357938
ethyl 2-[4-(2-ethoxy-2-oxoethoxy)phenyl]pyrimidine-4-carboxylate
CID 174475566
1-[4-(4-ethoxyphenyl)-2-methylphenyl]ethanone
CID 20716256
ethyl 6-pyridin-4-ylpyrimidine-4-carboxylate
CID 122239334
ethyl 4-methylpyridine-2-carboxylate;ethyl 5-methylpyridine-2-carboxylate
CID 158456566
ethane;ethyl 4-(trifluoromethylsulfonyloxy)pyridine-2-carboxylate
CID 153359412
4-(4-ethoxyphenyl)benzamide
CID 163572533
ethyl pyridine-2-carboxylate
CID 17307
methyl 4-(4-phenylphenyl)pyridine-2-carboxylate
CID 70853401
prop-2-enyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 165153448
ethane;2-ethoxycarbonylpyridine-4-carboxylic acid;2-propan-2-yloxycarbonylpyridine-4-carboxylic acid
CID 145150631

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-ethoxyphenyl)pyridine-2-carboxylate?
The IUPAC name of ethyl 4-(4-ethoxyphenyl)pyridine-2-carboxylate (CID 162649952) is ethyl 4-(4-ethoxyphenyl)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 4-(4-ethoxyphenyl)pyridine-2-carboxylate?
The canonical SMILES for ethyl 4-(4-ethoxyphenyl)pyridine-2-carboxylate is CCOC(=O)c1cc(-c2ccc(OCC)cc2)ccn1.
What is the InChIKey of ethyl 4-(4-ethoxyphenyl)pyridine-2-carboxylate?
The InChIKey is SHJKOMBEHKNUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-3-19-14-7-5-12(6-8-14)13-9-10-17-15(11-13)16(18)20-4-2/h5-11H,3-4H2,1-2H3.
What are the key properties of ethyl 4-(4-ethoxyphenyl)pyridine-2-carboxylate?
ethyl 4-(4-ethoxyphenyl)pyridine-2-carboxylate has a molecular weight of 271.32 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-ethoxyphenyl)pyridine-2-carboxylate is sourced from PubChem (CID 162649952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).