ethyl 6-(6-ethoxycarbonyl-2-pyridinyl)pyridine-2-carboxylate

C16H16N2O4 — CID 10685605

IUPACethyl 6-(6-ethoxycarbonyl-2-pyridinyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(-c2cccc(C(=O)OCC)n2)n1
InChIInChI=1S/C16H16N2O4/c1-3-21-15(19)13-9-5-7-11(17-13)12-8-6-10-14(18-12)16(20)22-4-2/h5-10H,3-4H2,1-2H3
InChIKeyXUYCSFZRYWQKJJ-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.50
Rot. Bonds5

About ethyl 6-(6-ethoxycarbonyl-2-pyridinyl)pyridine-2-carboxylate

ethyl 6-(6-ethoxycarbonyl-2-pyridinyl)pyridine-2-carboxylate (PubChem CID 10685605) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is ethyl 6-(6-ethoxycarbonyl-2-pyridinyl)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(6-ethoxycarbonyl-2-pyridinyl)pyridine-2-carboxylate
PubChem CID10685605
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Nameethyl 6-(6-ethoxycarbonyl-2-pyridinyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(-c2cccc(C(=O)OCC)n2)n1
InChIInChI=1S/C16H16N2O4/c1-3-21-15(19)13-9-5-7-11(17-13)12-8-6-10-14(18-12)16(20)22-4-2/h5-10H,3-4H2,1-2H3
InChIKeyXUYCSFZRYWQKJJ-UHFFFAOYSA-N
XLogP2.50
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(6-ethoxycarbonyl-2-pyridinyl)pyridine-2-carboxylate?
The IUPAC name of ethyl 6-(6-ethoxycarbonyl-2-pyridinyl)pyridine-2-carboxylate (CID 10685605) is ethyl 6-(6-ethoxycarbonyl-2-pyridinyl)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-(6-ethoxycarbonyl-2-pyridinyl)pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-(6-ethoxycarbonyl-2-pyridinyl)pyridine-2-carboxylate is CCOC(=O)c1cccc(-c2cccc(C(=O)OCC)n2)n1.
What is the InChIKey of ethyl 6-(6-ethoxycarbonyl-2-pyridinyl)pyridine-2-carboxylate?
The InChIKey is XUYCSFZRYWQKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-3-21-15(19)13-9-5-7-11(17-13)12-8-6-10-14(18-12)16(20)22-4-2/h5-10H,3-4H2,1-2H3.
What are the key properties of ethyl 6-(6-ethoxycarbonyl-2-pyridinyl)pyridine-2-carboxylate?
ethyl 6-(6-ethoxycarbonyl-2-pyridinyl)pyridine-2-carboxylate has a molecular weight of 300.31 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(6-ethoxycarbonyl-2-pyridinyl)pyridine-2-carboxylate is sourced from PubChem (CID 10685605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).