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

C14H12N2O10 — CID 139194542

IUPAC6-(4,6-dicarboxy-2-pyridinyl)pyridine-2,4-dicarboxylic acid;dihydrate
SMILESO.O.O=C(O)c1cc(C(=O)O)nc(-c2cc(C(=O)O)cc(C(=O)O)n2)c1
InChIInChI=1S/C14H8N2O8.2H2O/c17-11(18)5-1-7(15-9(3-5)13(21)22)8-2-6(12(19)20)4-10(16-8)14(23)24;;/h1-4H,(H,17,18)(H,19,20)(H,21,22)(H,23,24);2*1H2
InChIKeyKJCUELYQCPVHFJ-UHFFFAOYSA-N
MW368.25 g/mol
LogP-0.71
Rot. Bonds5

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

6-(4,6-dicarboxy-2-pyridinyl)pyridine-2,4-dicarboxylic acid;dihydrate (PubChem CID 139194542) has the molecular formula C14H12N2O10 and a molecular weight of 368.25 g/mol. Its IUPAC name is 6-(4,6-dicarboxy-2-pyridinyl)pyridine-2,4-dicarboxylic acid;dihydrate.

Molecular Properties

Compound Name6-(4,6-dicarboxy-2-pyridinyl)pyridine-2,4-dicarboxylic acid;dihydrate
PubChem CID139194542
Molecular FormulaC14H12N2O10
Molecular Weight368.25 g/mol
Exact Mass368.05
IUPAC Name6-(4,6-dicarboxy-2-pyridinyl)pyridine-2,4-dicarboxylic acid;dihydrate
SMILESO.O.O=C(O)c1cc(C(=O)O)nc(-c2cc(C(=O)O)cc(C(=O)O)n2)c1
InChIInChI=1S/C14H8N2O8.2H2O/c17-11(18)5-1-7(15-9(3-5)13(21)22)8-2-6(12(19)20)4-10(16-8)14(23)24;;/h1-4H,(H,17,18)(H,19,20)(H,21,22)(H,23,24);2*1H2
InChIKeyKJCUELYQCPVHFJ-UHFFFAOYSA-N
XLogP-0.71
TPSA237.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.25
LogP ≤ 5-0.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4,6-dicarboxy-2-pyridinyl)pyridine-2,4-dicarboxylic acid;dihydrate?
The IUPAC name of 6-(4,6-dicarboxy-2-pyridinyl)pyridine-2,4-dicarboxylic acid;dihydrate (CID 139194542) is 6-(4,6-dicarboxy-2-pyridinyl)pyridine-2,4-dicarboxylic acid;dihydrate.
What is the SMILES notation for 6-(4,6-dicarboxy-2-pyridinyl)pyridine-2,4-dicarboxylic acid;dihydrate?
The canonical SMILES for 6-(4,6-dicarboxy-2-pyridinyl)pyridine-2,4-dicarboxylic acid;dihydrate is O.O.O=C(O)c1cc(C(=O)O)nc(-c2cc(C(=O)O)cc(C(=O)O)n2)c1.
What is the InChIKey of 6-(4,6-dicarboxy-2-pyridinyl)pyridine-2,4-dicarboxylic acid;dihydrate?
The InChIKey is KJCUELYQCPVHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O8.2H2O/c17-11(18)5-1-7(15-9(3-5)13(21)22)8-2-6(12(19)20)4-10(16-8)14(23)24;;/h1-4H,(H,17,18)(H,19,20)(H,21,22)(H,23,24);2*1H2.
What are the key properties of 6-(4,6-dicarboxy-2-pyridinyl)pyridine-2,4-dicarboxylic acid;dihydrate?
6-(4,6-dicarboxy-2-pyridinyl)pyridine-2,4-dicarboxylic acid;dihydrate has a molecular weight of 368.25 g/mol, XLogP of -0.71, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,6-dicarboxy-2-pyridinyl)pyridine-2,4-dicarboxylic acid;dihydrate is sourced from PubChem (CID 139194542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).