naphthalene-2,7-dicarboxylic acid;hydrobromide

C12H9BrO4 — CID 175255726

IUPACnaphthalene-2,7-dicarboxylic acid;hydrobromide
SMILESBr.O=C(O)c1ccc2ccc(C(=O)O)cc2c1
InChIInChI=1S/C12H8O4.BrH/c13-11(14)8-3-1-7-2-4-9(12(15)16)6-10(7)5-8;/h1-6H,(H,13,14)(H,15,16);1H
InChIKeyFGJIWLZAWUCYAJ-UHFFFAOYSA-N
MW297.10 g/mol
LogP2.81
Rot. Bonds2

About naphthalene-2,7-dicarboxylic acid;hydrobromide

naphthalene-2,7-dicarboxylic acid;hydrobromide (PubChem CID 175255726) has the molecular formula C12H9BrO4 and a molecular weight of 297.10 g/mol. Its IUPAC name is naphthalene-2,7-dicarboxylic acid;hydrobromide.

Molecular Properties

Compound Namenaphthalene-2,7-dicarboxylic acid;hydrobromide
PubChem CID175255726
Molecular FormulaC12H9BrO4
Molecular Weight297.10 g/mol
Exact Mass295.97
IUPAC Namenaphthalene-2,7-dicarboxylic acid;hydrobromide
SMILESBr.O=C(O)c1ccc2ccc(C(=O)O)cc2c1
InChIInChI=1S/C12H8O4.BrH/c13-11(14)8-3-1-7-2-4-9(12(15)16)6-10(7)5-8;/h1-6H,(H,13,14)(H,15,16);1H
InChIKeyFGJIWLZAWUCYAJ-UHFFFAOYSA-N
XLogP2.81
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.10
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of naphthalene-2,7-dicarboxylic acid;hydrobromide?
The IUPAC name of naphthalene-2,7-dicarboxylic acid;hydrobromide (CID 175255726) is naphthalene-2,7-dicarboxylic acid;hydrobromide.
What is the SMILES notation for naphthalene-2,7-dicarboxylic acid;hydrobromide?
The canonical SMILES for naphthalene-2,7-dicarboxylic acid;hydrobromide is Br.O=C(O)c1ccc2ccc(C(=O)O)cc2c1.
What is the InChIKey of naphthalene-2,7-dicarboxylic acid;hydrobromide?
The InChIKey is FGJIWLZAWUCYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O4.BrH/c13-11(14)8-3-1-7-2-4-9(12(15)16)6-10(7)5-8;/h1-6H,(H,13,14)(H,15,16);1H.
What are the key properties of naphthalene-2,7-dicarboxylic acid;hydrobromide?
naphthalene-2,7-dicarboxylic acid;hydrobromide has a molecular weight of 297.10 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-2,7-dicarboxylic acid;hydrobromide is sourced from PubChem (CID 175255726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).