5,6-diethyl-2-pyridin-2-ylpyridine-3,4-dicarboxylic acid

C16H16N2O4 — CID 18790859

IUPAC5,6-diethyl-2-pyridin-2-ylpyridine-3,4-dicarboxylic acid
SMILESCCc1nc(-c2ccccn2)c(C(=O)O)c(C(=O)O)c1CC
InChIInChI=1S/C16H16N2O4/c1-3-9-10(4-2)18-14(11-7-5-6-8-17-11)13(16(21)22)12(9)15(19)20/h5-8H,3-4H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyINZWZHJUHVMSFH-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.66
Rot. Bonds5

About 5,6-diethyl-2-pyridin-2-ylpyridine-3,4-dicarboxylic acid

5,6-diethyl-2-pyridin-2-ylpyridine-3,4-dicarboxylic acid (PubChem CID 18790859) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 5,6-diethyl-2-pyridin-2-ylpyridine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name5,6-diethyl-2-pyridin-2-ylpyridine-3,4-dicarboxylic acid
PubChem CID18790859
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name5,6-diethyl-2-pyridin-2-ylpyridine-3,4-dicarboxylic acid
SMILESCCc1nc(-c2ccccn2)c(C(=O)O)c(C(=O)O)c1CC
InChIInChI=1S/C16H16N2O4/c1-3-9-10(4-2)18-14(11-7-5-6-8-17-11)13(16(21)22)12(9)15(19)20/h5-8H,3-4H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyINZWZHJUHVMSFH-UHFFFAOYSA-N
XLogP2.66
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5,6-diethyl-2-pyridin-2-ylpyridine-3,4-dicarboxylic acid 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

2-fluoro-4-(methylamino)-6-pyridin-2-ylpyrimidine-5-carboxylic acid
CID 67262007
4-methyl-6-pyridin-2-ylpyrimidine-5-carboxylic acid
CID 82471218
5-propyl-3-pyridin-2-yl-1,2-oxazole-4-carboxylic acid
CID 165454720
1,4-diethylnaphthalene-2,3-dicarboxylic acid
CID 19961477
5-ethoxycarbonyl-2,4-diethyl-6-phenylpyridine-3-carboxylic acid
CID 10853649
2,6-difluoro-4-pyridin-2-ylbenzoic acid
CID 176582239
5,6-diethyl-3-phenylmethoxypyridazine-4-carboxylic acid
CID 80517770
2,3-bis(bromomethyl)-5,6-dipyridin-2-ylpyrazine
CID 11582517
3-(4-ethyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanoic acid
CID 82428678
5-hydroxy-1-methyl-4-pyridin-2-ylimidazole-2-carboxylic acid
CID 136921451
propane;2-pyridin-2-ylpyridine
CID 158168510
4,6-dichloro-5-ethyl-2-pyridin-2-ylpyrimidine
CID 63613489

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-2-pyridin-2-ylpyridine-3,4-dicarboxylic acid?
The IUPAC name of 5,6-diethyl-2-pyridin-2-ylpyridine-3,4-dicarboxylic acid (CID 18790859) is 5,6-diethyl-2-pyridin-2-ylpyridine-3,4-dicarboxylic acid.
What is the SMILES notation for 5,6-diethyl-2-pyridin-2-ylpyridine-3,4-dicarboxylic acid?
The canonical SMILES for 5,6-diethyl-2-pyridin-2-ylpyridine-3,4-dicarboxylic acid is CCc1nc(-c2ccccn2)c(C(=O)O)c(C(=O)O)c1CC.
What is the InChIKey of 5,6-diethyl-2-pyridin-2-ylpyridine-3,4-dicarboxylic acid?
The InChIKey is INZWZHJUHVMSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-3-9-10(4-2)18-14(11-7-5-6-8-17-11)13(16(21)22)12(9)15(19)20/h5-8H,3-4H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 5,6-diethyl-2-pyridin-2-ylpyridine-3,4-dicarboxylic acid?
5,6-diethyl-2-pyridin-2-ylpyridine-3,4-dicarboxylic acid has a molecular weight of 300.31 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-2-pyridin-2-ylpyridine-3,4-dicarboxylic acid is sourced from PubChem (CID 18790859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).