6-bromonaphthalene-1,2-dicarboxylic acid

C12H7BrO4 — CID 90010448

IUPAC6-bromonaphthalene-1,2-dicarboxylic acid
SMILESO=C(O)c1ccc2cc(Br)ccc2c1C(=O)O
InChIInChI=1S/C12H7BrO4/c13-7-2-4-8-6(5-7)1-3-9(11(14)15)10(8)12(16)17/h1-5H,(H,14,15)(H,16,17)
InChIKeyJBDAADCBPOHYGG-UHFFFAOYSA-N
MW295.09 g/mol
LogP3.00
Rot. Bonds2

About 6-bromonaphthalene-1,2-dicarboxylic acid

6-bromonaphthalene-1,2-dicarboxylic acid (PubChem CID 90010448) has the molecular formula C12H7BrO4 and a molecular weight of 295.09 g/mol. Its IUPAC name is 6-bromonaphthalene-1,2-dicarboxylic acid.

Molecular Properties

Compound Name6-bromonaphthalene-1,2-dicarboxylic acid
PubChem CID90010448
Molecular FormulaC12H7BrO4
Molecular Weight295.09 g/mol
Exact Mass293.95
IUPAC Name6-bromonaphthalene-1,2-dicarboxylic acid
SMILESO=C(O)c1ccc2cc(Br)ccc2c1C(=O)O
InChIInChI=1S/C12H7BrO4/c13-7-2-4-8-6(5-7)1-3-9(11(14)15)10(8)12(16)17/h1-5H,(H,14,15)(H,16,17)
InChIKeyJBDAADCBPOHYGG-UHFFFAOYSA-N
XLogP3.00
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.09
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromonaphthalene-1,2-dicarboxylic acid?
The IUPAC name of 6-bromonaphthalene-1,2-dicarboxylic acid (CID 90010448) is 6-bromonaphthalene-1,2-dicarboxylic acid.
What is the SMILES notation for 6-bromonaphthalene-1,2-dicarboxylic acid?
The canonical SMILES for 6-bromonaphthalene-1,2-dicarboxylic acid is O=C(O)c1ccc2cc(Br)ccc2c1C(=O)O.
What is the InChIKey of 6-bromonaphthalene-1,2-dicarboxylic acid?
The InChIKey is JBDAADCBPOHYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrO4/c13-7-2-4-8-6(5-7)1-3-9(11(14)15)10(8)12(16)17/h1-5H,(H,14,15)(H,16,17).
What are the key properties of 6-bromonaphthalene-1,2-dicarboxylic acid?
6-bromonaphthalene-1,2-dicarboxylic acid has a molecular weight of 295.09 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromonaphthalene-1,2-dicarboxylic acid is sourced from PubChem (CID 90010448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).