1-formylnaphthalene-2,7-dicarboxylic acid

C13H8O5 — CID 54516267

IUPAC1-formylnaphthalene-2,7-dicarboxylic acid
SMILESO=Cc1c(C(=O)O)ccc2ccc(C(=O)O)cc12
InChIInChI=1S/C13H8O5/c14-6-11-9(13(17)18)4-3-7-1-2-8(12(15)16)5-10(7)11/h1-6H,(H,15,16)(H,17,18)
InChIKeyYMPZKJDRORTTPN-UHFFFAOYSA-N
MW244.20 g/mol
LogP2.05
Rot. Bonds3

About 1-formylnaphthalene-2,7-dicarboxylic acid

1-formylnaphthalene-2,7-dicarboxylic acid (PubChem CID 54516267) has the molecular formula C13H8O5 and a molecular weight of 244.20 g/mol. Its IUPAC name is 1-formylnaphthalene-2,7-dicarboxylic acid.

Molecular Properties

Compound Name1-formylnaphthalene-2,7-dicarboxylic acid
PubChem CID54516267
Molecular FormulaC13H8O5
Molecular Weight244.20 g/mol
Exact Mass244.04
IUPAC Name1-formylnaphthalene-2,7-dicarboxylic acid
SMILESO=Cc1c(C(=O)O)ccc2ccc(C(=O)O)cc12
InChIInChI=1S/C13H8O5/c14-6-11-9(13(17)18)4-3-7-1-2-8(12(15)16)5-10(7)11/h1-6H,(H,15,16)(H,17,18)
InChIKeyYMPZKJDRORTTPN-UHFFFAOYSA-N
XLogP2.05
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

naphthalene-1,2,3,7-tetracarboxylic acid;titanium
CID 87515449
8-ethylnaphthalene-2-carboxylic acid
CID 151555828
benzene-1,2,4-tricarboxylic acid;dihydrate
CID 70292833
benzene-1,2,4-tricarboxylic acid;bis(ethane-1,2-diol)
CID 19102454
bis(naphthalene-2,6-dicarboxylic acid);zirconium
CID 162353964
CID 67200510
CID 67200510
naphthalene-2,6-dicarboxylic acid;thorium
CID 175461115
2-[(4-carboxyphenyl)methyl]terephthalic acid
CID 14323682
benzene-1,3-dicarboxylic acid;naphthalene-1,2-dicarboxylic acid;terephthalic acid
CID 157108272
2-dihydroxyphosphanylterephthalic acid
CID 150017662
carbonic acid;2-(2,5-dicarboxyphenyl)peroxyterephthalic acid
CID 88603711
2-(chloromethyl)terephthalic acid
CID 90704685

Frequently Asked Questions

What is the IUPAC name of 1-formylnaphthalene-2,7-dicarboxylic acid?
The IUPAC name of 1-formylnaphthalene-2,7-dicarboxylic acid (CID 54516267) is 1-formylnaphthalene-2,7-dicarboxylic acid.
What is the SMILES notation for 1-formylnaphthalene-2,7-dicarboxylic acid?
The canonical SMILES for 1-formylnaphthalene-2,7-dicarboxylic acid is O=Cc1c(C(=O)O)ccc2ccc(C(=O)O)cc12.
What is the InChIKey of 1-formylnaphthalene-2,7-dicarboxylic acid?
The InChIKey is YMPZKJDRORTTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O5/c14-6-11-9(13(17)18)4-3-7-1-2-8(12(15)16)5-10(7)11/h1-6H,(H,15,16)(H,17,18).
What are the key properties of 1-formylnaphthalene-2,7-dicarboxylic acid?
1-formylnaphthalene-2,7-dicarboxylic acid has a molecular weight of 244.20 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-formylnaphthalene-2,7-dicarboxylic acid is sourced from PubChem (CID 54516267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).