4-hydroxypyrene-2,7-dicarboxylic acid

C18H10O5 — CID 102359273

IUPAC4-hydroxypyrene-2,7-dicarboxylic acid
SMILESO=C(O)c1cc2ccc3cc(C(=O)O)cc4c(O)cc(c1)c2c34
InChIInChI=1S/C18H10O5/c19-14-7-10-5-11(17(20)21)3-8-1-2-9-4-12(18(22)23)6-13(14)16(9)15(8)10/h1-7,19H,(H,20,21)(H,22,23)
InChIKeyGNVROAZBCDLZGA-UHFFFAOYSA-N
MW306.27 g/mol
LogP3.69
Rot. Bonds2

About 4-hydroxypyrene-2,7-dicarboxylic acid

4-hydroxypyrene-2,7-dicarboxylic acid (PubChem CID 102359273) has the molecular formula C18H10O5 and a molecular weight of 306.27 g/mol. Its IUPAC name is 4-hydroxypyrene-2,7-dicarboxylic acid.

Molecular Properties

Compound Name4-hydroxypyrene-2,7-dicarboxylic acid
PubChem CID102359273
Molecular FormulaC18H10O5
Molecular Weight306.27 g/mol
Exact Mass306.05
IUPAC Name4-hydroxypyrene-2,7-dicarboxylic acid
SMILESO=C(O)c1cc2ccc3cc(C(=O)O)cc4c(O)cc(c1)c2c34
InChIInChI=1S/C18H10O5/c19-14-7-10-5-11(17(20)21)3-8-1-2-9-4-12(18(22)23)6-13(14)16(9)15(8)10/h1-7,19H,(H,20,21)(H,22,23)
InChIKeyGNVROAZBCDLZGA-UHFFFAOYSA-N
XLogP3.69
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-6-methoxynaphthalene-2-carboxylic acid
CID 19868719
7-chloro-4-hydroxynaphthalene-2-carboxylic acid
CID 58932959
4-hydroxy-6-nitronaphthalene-2-carboxylic acid
CID 12788607
5-fluoro-4-hydroxynaphthalene-2-carboxylic acid
CID 105458353
bis(naphthalene-2,6-dicarboxylic acid);zirconium
CID 162353964
naphthalene-2,6-dicarboxylic acid;thorium
CID 175461115
CID 67200510
CID 67200510
4-cyanonaphthalene-2,6-dicarboxylic acid
CID 132573257
2-hydroxynaphthalene-1,6-dicarboxylic acid;dihydrochloride
CID 68837450
4-tert-butylnaphthalene-2,6-dicarboxylic acid
CID 23139718
magnesium;hydride;naphthalene-2,6-dicarboxylic acid
CID 173052863
naphthalene-2,7-dicarboxylic acid;hydrobromide
CID 175255726

Frequently Asked Questions

What is the IUPAC name of 4-hydroxypyrene-2,7-dicarboxylic acid?
The IUPAC name of 4-hydroxypyrene-2,7-dicarboxylic acid (CID 102359273) is 4-hydroxypyrene-2,7-dicarboxylic acid.
What is the SMILES notation for 4-hydroxypyrene-2,7-dicarboxylic acid?
The canonical SMILES for 4-hydroxypyrene-2,7-dicarboxylic acid is O=C(O)c1cc2ccc3cc(C(=O)O)cc4c(O)cc(c1)c2c34.
What is the InChIKey of 4-hydroxypyrene-2,7-dicarboxylic acid?
The InChIKey is GNVROAZBCDLZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10O5/c19-14-7-10-5-11(17(20)21)3-8-1-2-9-4-12(18(22)23)6-13(14)16(9)15(8)10/h1-7,19H,(H,20,21)(H,22,23).
What are the key properties of 4-hydroxypyrene-2,7-dicarboxylic acid?
4-hydroxypyrene-2,7-dicarboxylic acid has a molecular weight of 306.27 g/mol, XLogP of 3.69, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxypyrene-2,7-dicarboxylic acid is sourced from PubChem (CID 102359273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).