2-hydroxynaphthalene-1,6-dicarboxylic acid;dihydrochloride

C12H10Cl2O5 — CID 68837450

IUPAC2-hydroxynaphthalene-1,6-dicarboxylic acid;dihydrochloride
SMILESCl.Cl.O=C(O)c1ccc2c(C(=O)O)c(O)ccc2c1
InChIInChI=1S/C12H8O5.2ClH/c13-9-4-2-6-5-7(11(14)15)1-3-8(6)10(9)12(16)17;;/h1-5,13H,(H,14,15)(H,16,17);2*1H
InChIKeyPRQJRAJVCTWRML-UHFFFAOYSA-N
MW305.11 g/mol
LogP2.79
Rot. Bonds2

About 2-hydroxynaphthalene-1,6-dicarboxylic acid;dihydrochloride

2-hydroxynaphthalene-1,6-dicarboxylic acid;dihydrochloride (PubChem CID 68837450) has the molecular formula C12H10Cl2O5 and a molecular weight of 305.11 g/mol. Its IUPAC name is 2-hydroxynaphthalene-1,6-dicarboxylic acid;dihydrochloride.

Molecular Properties

Compound Name2-hydroxynaphthalene-1,6-dicarboxylic acid;dihydrochloride
PubChem CID68837450
Molecular FormulaC12H10Cl2O5
Molecular Weight305.11 g/mol
Exact Mass303.99
IUPAC Name2-hydroxynaphthalene-1,6-dicarboxylic acid;dihydrochloride
SMILESCl.Cl.O=C(O)c1ccc2c(C(=O)O)c(O)ccc2c1
InChIInChI=1S/C12H8O5.2ClH/c13-9-4-2-6-5-7(11(14)15)1-3-8(6)10(9)12(16)17;;/h1-5,13H,(H,14,15)(H,16,17);2*1H
InChIKeyPRQJRAJVCTWRML-UHFFFAOYSA-N
XLogP2.79
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.11
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dihydroxynaphthalene-1-carboxylic acid
CID 10149075
6-acetyloxy-2-hydroxynaphthalene-1-carboxylic acid
CID 70465846
bis(naphthalene-2,6-dicarboxylic acid);zirconium
CID 162353964
CID 67200510
CID 67200510
naphthalene-2,6-dicarboxylic acid;thorium
CID 175461115
7-tert-butyl-2-hydroxynaphthalene-1-carboxylic acid
CID 19606931
2-hydroxy-6-(8-methoxyoctoxy)naphthalene-1-carboxylic acid
CID 57045000
ethene;naphthalene-2,6-dicarboxylic acid
CID 66988682
naphthalene-2,7-dicarboxylic acid;hydrobromide
CID 175255726
magnesium;hydride;naphthalene-2,6-dicarboxylic acid
CID 173052863
5,6-diaminonaphthalene-2-carboxylic acid
CID 23293419
naphthalene-1,2,3,7-tetracarboxylic acid;titanium
CID 87515449

Frequently Asked Questions

What is the IUPAC name of 2-hydroxynaphthalene-1,6-dicarboxylic acid;dihydrochloride?
The IUPAC name of 2-hydroxynaphthalene-1,6-dicarboxylic acid;dihydrochloride (CID 68837450) is 2-hydroxynaphthalene-1,6-dicarboxylic acid;dihydrochloride.
What is the SMILES notation for 2-hydroxynaphthalene-1,6-dicarboxylic acid;dihydrochloride?
The canonical SMILES for 2-hydroxynaphthalene-1,6-dicarboxylic acid;dihydrochloride is Cl.Cl.O=C(O)c1ccc2c(C(=O)O)c(O)ccc2c1.
What is the InChIKey of 2-hydroxynaphthalene-1,6-dicarboxylic acid;dihydrochloride?
The InChIKey is PRQJRAJVCTWRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O5.2ClH/c13-9-4-2-6-5-7(11(14)15)1-3-8(6)10(9)12(16)17;;/h1-5,13H,(H,14,15)(H,16,17);2*1H.
What are the key properties of 2-hydroxynaphthalene-1,6-dicarboxylic acid;dihydrochloride?
2-hydroxynaphthalene-1,6-dicarboxylic acid;dihydrochloride has a molecular weight of 305.11 g/mol, XLogP of 2.79, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxynaphthalene-1,6-dicarboxylic acid;dihydrochloride is sourced from PubChem (CID 68837450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).