ethyl 6-(4-chlorophenyl)-2-ethylpyridine-3-carboxylate

C16H16ClNO2 — CID 116532919

IUPACethyl 6-(4-chlorophenyl)-2-ethylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2ccc(Cl)cc2)nc1CC
InChIInChI=1S/C16H16ClNO2/c1-3-14-13(16(19)20-4-2)9-10-15(18-14)11-5-7-12(17)8-6-11/h5-10H,3-4H2,1-2H3
InChIKeyCYDQCPXTRLQNAX-UHFFFAOYSA-N
MW289.76 g/mol
LogP4.14
Rot. Bonds4

About ethyl 6-(4-chlorophenyl)-2-ethylpyridine-3-carboxylate

ethyl 6-(4-chlorophenyl)-2-ethylpyridine-3-carboxylate (PubChem CID 116532919) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is ethyl 6-(4-chlorophenyl)-2-ethylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-chlorophenyl)-2-ethylpyridine-3-carboxylate
PubChem CID116532919
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Nameethyl 6-(4-chlorophenyl)-2-ethylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2ccc(Cl)cc2)nc1CC
InChIInChI=1S/C16H16ClNO2/c1-3-14-13(16(19)20-4-2)9-10-15(18-14)11-5-7-12(17)8-6-11/h5-10H,3-4H2,1-2H3
InChIKeyCYDQCPXTRLQNAX-UHFFFAOYSA-N
XLogP4.14
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-ethyl-6-(3-methylphenyl)pyridine-3-carboxylate
CID 116532844
ethyl 2-ethyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxylate
CID 116532896
2-ethyl-6-(4-ethylphenyl)pyridine-3-carboxylic acid
CID 116532989
ethyl 6-(2,5-dimethylphenyl)-2-ethylpyridine-3-carboxylate
CID 116532924
ethyl 6-(4-ethoxyphenyl)-2-methylpyridine-3-carboxylate
CID 115917504
ethyl 6-(3-chlorophenyl)-2-methylpyridine-3-carboxylate
CID 112561955
ethyl 6-cyano-2-ethylpyridine-3-carboxylate
CID 141150899
ethyl 2-amino-6-phenylpyridine-3-carboxylate
CID 1236695
6-(4-chlorophenyl)-2-methylpyridine-3-carbohydrazide
CID 53433276
1-[6-(4-chlorophenyl)-2-methyl-3-pyridinyl]ethanone
CID 11043024
methyl 6-(4-chlorophenyl)-4-ethoxy-2-ethylpyridine-3-carboxylate
CID 59487416
diethyl 4-chlorobenzene-1,2-dicarboxylate
CID 14910056

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-chlorophenyl)-2-ethylpyridine-3-carboxylate?
The IUPAC name of ethyl 6-(4-chlorophenyl)-2-ethylpyridine-3-carboxylate (CID 116532919) is ethyl 6-(4-chlorophenyl)-2-ethylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(4-chlorophenyl)-2-ethylpyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(4-chlorophenyl)-2-ethylpyridine-3-carboxylate is CCOC(=O)c1ccc(-c2ccc(Cl)cc2)nc1CC.
What is the InChIKey of ethyl 6-(4-chlorophenyl)-2-ethylpyridine-3-carboxylate?
The InChIKey is CYDQCPXTRLQNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-3-14-13(16(19)20-4-2)9-10-15(18-14)11-5-7-12(17)8-6-11/h5-10H,3-4H2,1-2H3.
What are the key properties of ethyl 6-(4-chlorophenyl)-2-ethylpyridine-3-carboxylate?
ethyl 6-(4-chlorophenyl)-2-ethylpyridine-3-carboxylate has a molecular weight of 289.76 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-chlorophenyl)-2-ethylpyridine-3-carboxylate is sourced from PubChem (CID 116532919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).