dimethyl 6-pyridin-2-ylpyridine-2,4-dicarboxylate

C14H12N2O4 — CID 170564950

IUPACdimethyl 6-pyridin-2-ylpyridine-2,4-dicarboxylate
SMILESCOC(=O)c1cc(C(=O)OC)nc(-c2ccccn2)c1
InChIInChI=1S/C14H12N2O4/c1-19-13(17)9-7-11(10-5-3-4-6-15-10)16-12(8-9)14(18)20-2/h3-8H,1-2H3
InChIKeyAOMACKHHQZXHCW-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.72
Rot. Bonds3

About dimethyl 6-pyridin-2-ylpyridine-2,4-dicarboxylate

dimethyl 6-pyridin-2-ylpyridine-2,4-dicarboxylate (PubChem CID 170564950) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is dimethyl 6-pyridin-2-ylpyridine-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 6-pyridin-2-ylpyridine-2,4-dicarboxylate
PubChem CID170564950
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Namedimethyl 6-pyridin-2-ylpyridine-2,4-dicarboxylate
SMILESCOC(=O)c1cc(C(=O)OC)nc(-c2ccccn2)c1
InChIInChI=1S/C14H12N2O4/c1-19-13(17)9-7-11(10-5-3-4-6-15-10)16-12(8-9)14(18)20-2/h3-8H,1-2H3
InChIKeyAOMACKHHQZXHCW-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

Analyze dimethyl 6-pyridin-2-ylpyridine-2,4-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Diethyl 2,4-pyridinedicarboxylate
CID 170509
2,2'-Bipyridine-4-Carboxylic Acid
CID 9942424
Dimethyl 2,5-pyridine dicarboxylate
CID 234911
4'-(Methoxycarbonyl)-[2,2'-bipyridine]-4-carboxylic acid
CID 25138011
Diethyl 2,5-pyridinedicarboxylate
CID 254728
Dimethyl pyridine-2,4-dicarboxylate
CID 254545
4,4'-Dimethyl [2,2'-bipyridine]-4,4'-dicarboxylate
CID 326419
4-(Methoxycarbonyl)pyridine-2-carboxylic acid
CID 13353752
methyl 4'-(phenethylcarbamoyl)-[2,2'-bipyridine]-4-carboxylate (N4)
CID 121595845
2,2'-Bipyridine-4,5'-dicarboxylic acid
CID 60018837
2,2'-Bipyridine-4,4'-dicarboxylic acid
CID 688094
Diethyl 2,6-dimethyl-2',4-bipyridine-3,5-dicarboxylate
CID 1070616

Frequently Asked Questions

What is the IUPAC name of dimethyl 6-pyridin-2-ylpyridine-2,4-dicarboxylate?
The IUPAC name of dimethyl 6-pyridin-2-ylpyridine-2,4-dicarboxylate (CID 170564950) is dimethyl 6-pyridin-2-ylpyridine-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 6-pyridin-2-ylpyridine-2,4-dicarboxylate?
The canonical SMILES for dimethyl 6-pyridin-2-ylpyridine-2,4-dicarboxylate is COC(=O)c1cc(C(=O)OC)nc(-c2ccccn2)c1.
What is the InChIKey of dimethyl 6-pyridin-2-ylpyridine-2,4-dicarboxylate?
The InChIKey is AOMACKHHQZXHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-19-13(17)9-7-11(10-5-3-4-6-15-10)16-12(8-9)14(18)20-2/h3-8H,1-2H3.
What are the key properties of dimethyl 6-pyridin-2-ylpyridine-2,4-dicarboxylate?
dimethyl 6-pyridin-2-ylpyridine-2,4-dicarboxylate 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 dimethyl 6-pyridin-2-ylpyridine-2,4-dicarboxylate is sourced from PubChem (CID 170564950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).