methyl 6-(5-methoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate

C14H12N2O4 — CID 12970938

IUPACmethyl 6-(5-methoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc(C(=O)OC)cn2)nc1
InChIInChI=1S/C14H12N2O4/c1-19-13(17)9-3-5-11(15-7-9)12-6-4-10(8-16-12)14(18)20-2/h3-8H,1-2H3
InChIKeyNJAYXDBLSXUUGN-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.72
Rot. Bonds3

About methyl 6-(5-methoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate

methyl 6-(5-methoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate (PubChem CID 12970938) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is methyl 6-(5-methoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(5-methoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate
PubChem CID12970938
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Namemethyl 6-(5-methoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc(C(=O)OC)cn2)nc1
InChIInChI=1S/C14H12N2O4/c1-19-13(17)9-3-5-11(15-7-9)12-6-4-10(8-16-12)14(18)20-2/h3-8H,1-2H3
InChIKeyNJAYXDBLSXUUGN-UHFFFAOYSA-N
XLogP1.72
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(5-methoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate?
The IUPAC name of methyl 6-(5-methoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate (CID 12970938) is methyl 6-(5-methoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(5-methoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(5-methoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate is COC(=O)c1ccc(-c2ccc(C(=O)OC)cn2)nc1.
What is the InChIKey of methyl 6-(5-methoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate?
The InChIKey is NJAYXDBLSXUUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-19-13(17)9-3-5-11(15-7-9)12-6-4-10(8-16-12)14(18)20-2/h3-8H,1-2H3.
What are the key properties of methyl 6-(5-methoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate?
methyl 6-(5-methoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate has a molecular weight of 272.26 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(5-methoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate is sourced from PubChem (CID 12970938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).