ethyl 3-(2,3-dimethoxyphenyl)pyridine-2-carboxylate

C16H17NO4 — CID 15681324

IUPACethyl 3-(2,3-dimethoxyphenyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1ncccc1-c1cccc(OC)c1OC
InChIInChI=1S/C16H17NO4/c1-4-21-16(18)14-11(8-6-10-17-14)12-7-5-9-13(19-2)15(12)20-3/h5-10H,4H2,1-3H3
InChIKeyTULRICDIJPXCBT-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.94
Rot. Bonds5

About ethyl 3-(2,3-dimethoxyphenyl)pyridine-2-carboxylate

ethyl 3-(2,3-dimethoxyphenyl)pyridine-2-carboxylate (PubChem CID 15681324) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is ethyl 3-(2,3-dimethoxyphenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2,3-dimethoxyphenyl)pyridine-2-carboxylate
PubChem CID15681324
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Nameethyl 3-(2,3-dimethoxyphenyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1ncccc1-c1cccc(OC)c1OC
InChIInChI=1S/C16H17NO4/c1-4-21-16(18)14-11(8-6-10-17-14)12-7-5-9-13(19-2)15(12)20-3/h5-10H,4H2,1-3H3
InChIKeyTULRICDIJPXCBT-UHFFFAOYSA-N
XLogP2.94
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 53271349
ethyl 5-(2-ethoxy-3-methoxyphenyl)-2H-triazole-4-carboxylate
CID 169399469
ethyl 3-(6-amino-2-pyridinyl)pyridine-2-carboxylate;hydrochloride
CID 23437677
ethyl 3-aminopyridine-2-carboxylate
CID 565054
ethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxylate
CID 14425834
ethyl 2-ethoxy-3-methoxybenzoate
CID 82186199
ethyl 3-fluoropyridine-2-carboxylate
CID 46311381
ethane;ethyl 3-aminopyridine-2-carboxylate
CID 143635646
2-[2-(5-ethoxycarbonyl-2H-triazol-4-yl)-6-methoxyphenoxy]propanoic acid
CID 169400503
ethyl 1-(2,3-dimethoxyphenyl)-5,6,7-trimethoxyisoquinoline-3-carboxylate
CID 10862860
ethyl 3-(cyclopropylmethoxy)pyridine-2-carboxylate
CID 133080995
ethyl 5-methoxyisoquinoline-3-carboxylate
CID 131699571

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,3-dimethoxyphenyl)pyridine-2-carboxylate?
The IUPAC name of ethyl 3-(2,3-dimethoxyphenyl)pyridine-2-carboxylate (CID 15681324) is ethyl 3-(2,3-dimethoxyphenyl)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-(2,3-dimethoxyphenyl)pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-(2,3-dimethoxyphenyl)pyridine-2-carboxylate is CCOC(=O)c1ncccc1-c1cccc(OC)c1OC.
What is the InChIKey of ethyl 3-(2,3-dimethoxyphenyl)pyridine-2-carboxylate?
The InChIKey is TULRICDIJPXCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-4-21-16(18)14-11(8-6-10-17-14)12-7-5-9-13(19-2)15(12)20-3/h5-10H,4H2,1-3H3.
What are the key properties of ethyl 3-(2,3-dimethoxyphenyl)pyridine-2-carboxylate?
ethyl 3-(2,3-dimethoxyphenyl)pyridine-2-carboxylate has a molecular weight of 287.32 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,3-dimethoxyphenyl)pyridine-2-carboxylate is sourced from PubChem (CID 15681324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).