4-(2-carboxy-6-ethoxycarbonyl-4-pyridinyl)-6-methylpyridine-2-carboxylic acid

C16H14N2O6 — CID 58799451

IUPAC4-(2-carboxy-6-ethoxycarbonyl-4-pyridinyl)-6-methylpyridine-2-carboxylic acid
SMILESCCOC(=O)c1cc(-c2cc(C)nc(C(=O)O)c2)cc(C(=O)O)n1
InChIInChI=1S/C16H14N2O6/c1-3-24-16(23)13-7-10(6-12(18-13)15(21)22)9-4-8(2)17-11(5-9)14(19)20/h4-7H,3H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyUKLXRPPVBWJTMR-UHFFFAOYSA-N
MW330.30 g/mol
LogP2.03
Rot. Bonds5

About 4-(2-carboxy-6-ethoxycarbonyl-4-pyridinyl)-6-methylpyridine-2-carboxylic acid

4-(2-carboxy-6-ethoxycarbonyl-4-pyridinyl)-6-methylpyridine-2-carboxylic acid (PubChem CID 58799451) has the molecular formula C16H14N2O6 and a molecular weight of 330.30 g/mol. Its IUPAC name is 4-(2-carboxy-6-ethoxycarbonyl-4-pyridinyl)-6-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-carboxy-6-ethoxycarbonyl-4-pyridinyl)-6-methylpyridine-2-carboxylic acid
PubChem CID58799451
Molecular FormulaC16H14N2O6
Molecular Weight330.30 g/mol
Exact Mass330.09
IUPAC Name4-(2-carboxy-6-ethoxycarbonyl-4-pyridinyl)-6-methylpyridine-2-carboxylic acid
SMILESCCOC(=O)c1cc(-c2cc(C)nc(C(=O)O)c2)cc(C(=O)O)n1
InChIInChI=1S/C16H14N2O6/c1-3-24-16(23)13-7-10(6-12(18-13)15(21)22)9-4-8(2)17-11(5-9)14(19)20/h4-7H,3H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyUKLXRPPVBWJTMR-UHFFFAOYSA-N
XLogP2.03
TPSA126.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-carboxy-6-ethoxycarbonyl-4-pyridinyl)-6-methylpyridine-2-carboxylic acid?
The IUPAC name of 4-(2-carboxy-6-ethoxycarbonyl-4-pyridinyl)-6-methylpyridine-2-carboxylic acid (CID 58799451) is 4-(2-carboxy-6-ethoxycarbonyl-4-pyridinyl)-6-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 4-(2-carboxy-6-ethoxycarbonyl-4-pyridinyl)-6-methylpyridine-2-carboxylic acid?
The canonical SMILES for 4-(2-carboxy-6-ethoxycarbonyl-4-pyridinyl)-6-methylpyridine-2-carboxylic acid is CCOC(=O)c1cc(-c2cc(C)nc(C(=O)O)c2)cc(C(=O)O)n1.
What is the InChIKey of 4-(2-carboxy-6-ethoxycarbonyl-4-pyridinyl)-6-methylpyridine-2-carboxylic acid?
The InChIKey is UKLXRPPVBWJTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O6/c1-3-24-16(23)13-7-10(6-12(18-13)15(21)22)9-4-8(2)17-11(5-9)14(19)20/h4-7H,3H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 4-(2-carboxy-6-ethoxycarbonyl-4-pyridinyl)-6-methylpyridine-2-carboxylic acid?
4-(2-carboxy-6-ethoxycarbonyl-4-pyridinyl)-6-methylpyridine-2-carboxylic acid has a molecular weight of 330.30 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-carboxy-6-ethoxycarbonyl-4-pyridinyl)-6-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 58799451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).