4-(2,6-dicarboxy-4-pyridinyl)pyridine-2,6-dicarboxylic acid;trihydrate

C14H14N2O11 — CID 139149283

IUPAC4-(2,6-dicarboxy-4-pyridinyl)pyridine-2,6-dicarboxylic acid;trihydrate
SMILESO.O.O.O=C(O)c1cc(-c2cc(C(=O)O)nc(C(=O)O)c2)cc(C(=O)O)n1
InChIInChI=1S/C14H8N2O8.3H2O/c17-11(18)7-1-5(2-8(15-7)12(19)20)6-3-9(13(21)22)16-10(4-6)14(23)24;;;/h1-4H,(H,17,18)(H,19,20)(H,21,22)(H,23,24);3*1H2
InChIKeyDKDXEYXWUWCZLT-UHFFFAOYSA-N
MW386.27 g/mol
LogP-1.54
Rot. Bonds5

About 4-(2,6-dicarboxy-4-pyridinyl)pyridine-2,6-dicarboxylic acid;trihydrate

4-(2,6-dicarboxy-4-pyridinyl)pyridine-2,6-dicarboxylic acid;trihydrate (PubChem CID 139149283) has the molecular formula C14H14N2O11 and a molecular weight of 386.27 g/mol. Its IUPAC name is 4-(2,6-dicarboxy-4-pyridinyl)pyridine-2,6-dicarboxylic acid;trihydrate.

Molecular Properties

Compound Name4-(2,6-dicarboxy-4-pyridinyl)pyridine-2,6-dicarboxylic acid;trihydrate
PubChem CID139149283
Molecular FormulaC14H14N2O11
Molecular Weight386.27 g/mol
Exact Mass386.06
IUPAC Name4-(2,6-dicarboxy-4-pyridinyl)pyridine-2,6-dicarboxylic acid;trihydrate
SMILESO.O.O.O=C(O)c1cc(-c2cc(C(=O)O)nc(C(=O)O)c2)cc(C(=O)O)n1
InChIInChI=1S/C14H8N2O8.3H2O/c17-11(18)7-1-5(2-8(15-7)12(19)20)6-3-9(13(21)22)16-10(4-6)14(23)24;;;/h1-4H,(H,17,18)(H,19,20)(H,21,22)(H,23,24);3*1H2
InChIKeyDKDXEYXWUWCZLT-UHFFFAOYSA-N
XLogP-1.54
TPSA269.48 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.27
LogP ≤ 5-1.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-[7-(2,6-dicarboxy-4-pyridinyl)naphthalen-2-yl]pyridine-2,6-dicarboxylic acid
CID 102140939
4-(2-carboxy-6-methyl-4-pyridinyl)-6-methylpyridine-2-carboxylic acid
CID 163216957
4-(2,6-dicarbonochloridoyl-4-pyridinyl)pyridine-2,6-dicarbonyl chloride
CID 14363359
4-(furan-2-yl)pyridine-2,6-dicarboxylic acid
CID 138673812
dizinc;4-(2,6-dicarboxylato-4-pyridinyl)pyridine-2,6-dicarboxylate
CID 172703364
6-methoxy-4-phenylpyridine-2-carboxylic acid
CID 133096381
4-(1-hydroxyethyl)pyridine-2,6-dicarboxylic acid
CID 138674000
pyrazine-2,6-dicarboxylic acid
CID 11601391
CID 91986542
CID 91986542
pyrimidine-4,6-dicarboxylic acid;dihydrate
CID 139151595
CID 67900504
CID 67900504
7-hydroxypyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 152749064

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dicarboxy-4-pyridinyl)pyridine-2,6-dicarboxylic acid;trihydrate?
The IUPAC name of 4-(2,6-dicarboxy-4-pyridinyl)pyridine-2,6-dicarboxylic acid;trihydrate (CID 139149283) is 4-(2,6-dicarboxy-4-pyridinyl)pyridine-2,6-dicarboxylic acid;trihydrate.
What is the SMILES notation for 4-(2,6-dicarboxy-4-pyridinyl)pyridine-2,6-dicarboxylic acid;trihydrate?
The canonical SMILES for 4-(2,6-dicarboxy-4-pyridinyl)pyridine-2,6-dicarboxylic acid;trihydrate is O.O.O.O=C(O)c1cc(-c2cc(C(=O)O)nc(C(=O)O)c2)cc(C(=O)O)n1.
What is the InChIKey of 4-(2,6-dicarboxy-4-pyridinyl)pyridine-2,6-dicarboxylic acid;trihydrate?
The InChIKey is DKDXEYXWUWCZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O8.3H2O/c17-11(18)7-1-5(2-8(15-7)12(19)20)6-3-9(13(21)22)16-10(4-6)14(23)24;;;/h1-4H,(H,17,18)(H,19,20)(H,21,22)(H,23,24);3*1H2.
What are the key properties of 4-(2,6-dicarboxy-4-pyridinyl)pyridine-2,6-dicarboxylic acid;trihydrate?
4-(2,6-dicarboxy-4-pyridinyl)pyridine-2,6-dicarboxylic acid;trihydrate has a molecular weight of 386.27 g/mol, XLogP of -1.54, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dicarboxy-4-pyridinyl)pyridine-2,6-dicarboxylic acid;trihydrate is sourced from PubChem (CID 139149283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).