2-O-ethyl 6-O-(6-methyl-3-pyridinyl) pyridine-2,6-dicarboxylate

C15H14N2O4 — CID 3335143

IUPAC2-O-ethyl 6-O-(6-methyl-3-pyridinyl) pyridine-2,6-dicarboxylate
SMILESCCOC(=O)c1cccc(C(=O)Oc2ccc(C)nc2)n1
InChIInChI=1S/C15H14N2O4/c1-3-20-14(18)12-5-4-6-13(17-12)15(19)21-11-8-7-10(2)16-9-11/h4-9H,3H2,1-2H3
InChIKeyWAYXRPJUOKERSC-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.18
Rot. Bonds4

About 2-O-ethyl 6-O-(6-methyl-3-pyridinyl) pyridine-2,6-dicarboxylate

2-O-ethyl 6-O-(6-methyl-3-pyridinyl) pyridine-2,6-dicarboxylate (PubChem CID 3335143) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-O-ethyl 6-O-(6-methyl-3-pyridinyl) pyridine-2,6-dicarboxylate.

Molecular Properties

Compound Name2-O-ethyl 6-O-(6-methyl-3-pyridinyl) pyridine-2,6-dicarboxylate
PubChem CID3335143
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name2-O-ethyl 6-O-(6-methyl-3-pyridinyl) pyridine-2,6-dicarboxylate
SMILESCCOC(=O)c1cccc(C(=O)Oc2ccc(C)nc2)n1
InChIInChI=1S/C15H14N2O4/c1-3-20-14(18)12-5-4-6-13(17-12)15(19)21-11-8-7-10(2)16-9-11/h4-9H,3H2,1-2H3
InChIKeyWAYXRPJUOKERSC-UHFFFAOYSA-N
XLogP2.18
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-hydroxy-2-[(6-methyl-3-pyridinyl)oxy]prop-2-enoate
CID 67835747
ethyl 6-bromopyridine-2-carboxylate
CID 2758810
2-O-ethyl 6-O-tridecyl pyridine-2,6-dicarboxylate
CID 91732217
ethyl 6-(2-aminopropoxy)pyridine-2-carboxylate
CID 155937838
bis(4-acetylphenyl) pyridine-2,6-dicarboxylate
CID 4647078
ethyl 2-(6-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylate
CID 104822748
5-ethoxy-2-methylpyridine
CID 573198
diethyl 4-ethoxypyridine-2,6-dicarboxylate
CID 46708188
ethyl pyridine-2-carboxylate
CID 17307
ethyl 2-amino-4-fluoro-5-[(6-methyl-3-pyridinyl)oxy]benzoate
CID 62059327
ethyl 6-(6-bromo-2-pyridinyl)pyridine-2-carboxylate
CID 10892158
(4-acetylphenyl) 6-methylpyridine-2-carboxylate
CID 31701088

Frequently Asked Questions

What is the IUPAC name of 2-O-ethyl 6-O-(6-methyl-3-pyridinyl) pyridine-2,6-dicarboxylate?
The IUPAC name of 2-O-ethyl 6-O-(6-methyl-3-pyridinyl) pyridine-2,6-dicarboxylate (CID 3335143) is 2-O-ethyl 6-O-(6-methyl-3-pyridinyl) pyridine-2,6-dicarboxylate.
What is the SMILES notation for 2-O-ethyl 6-O-(6-methyl-3-pyridinyl) pyridine-2,6-dicarboxylate?
The canonical SMILES for 2-O-ethyl 6-O-(6-methyl-3-pyridinyl) pyridine-2,6-dicarboxylate is CCOC(=O)c1cccc(C(=O)Oc2ccc(C)nc2)n1.
What is the InChIKey of 2-O-ethyl 6-O-(6-methyl-3-pyridinyl) pyridine-2,6-dicarboxylate?
The InChIKey is WAYXRPJUOKERSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-3-20-14(18)12-5-4-6-13(17-12)15(19)21-11-8-7-10(2)16-9-11/h4-9H,3H2,1-2H3.
What are the key properties of 2-O-ethyl 6-O-(6-methyl-3-pyridinyl) pyridine-2,6-dicarboxylate?
2-O-ethyl 6-O-(6-methyl-3-pyridinyl) pyridine-2,6-dicarboxylate has a molecular weight of 286.29 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-ethyl 6-O-(6-methyl-3-pyridinyl) pyridine-2,6-dicarboxylate is sourced from PubChem (CID 3335143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).