3-bromo-6-chloronaphthalene-2-carboxylic acid

C11H6BrClO2 — CID 175483572

IUPAC3-bromo-6-chloronaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2ccc(Cl)cc2cc1Br
InChIInChI=1S/C11H6BrClO2/c12-10-5-7-3-8(13)2-1-6(7)4-9(10)11(14)15/h1-5H,(H,14,15)
InChIKeyOGHSJRPSIJMBGT-UHFFFAOYSA-N
MW285.52 g/mol
LogP3.95
Rot. Bonds1

About 3-bromo-6-chloronaphthalene-2-carboxylic acid

3-bromo-6-chloronaphthalene-2-carboxylic acid (PubChem CID 175483572) has the molecular formula C11H6BrClO2 and a molecular weight of 285.52 g/mol. Its IUPAC name is 3-bromo-6-chloronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-bromo-6-chloronaphthalene-2-carboxylic acid
PubChem CID175483572
Molecular FormulaC11H6BrClO2
Molecular Weight285.52 g/mol
Exact Mass283.92
IUPAC Name3-bromo-6-chloronaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2ccc(Cl)cc2cc1Br
InChIInChI=1S/C11H6BrClO2/c12-10-5-7-3-8(13)2-1-6(7)4-9(10)11(14)15/h1-5H,(H,14,15)
InChIKeyOGHSJRPSIJMBGT-UHFFFAOYSA-N
XLogP3.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.52
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-(2-bromo-4-methoxyphenoxy)-5-chlorobenzoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-chloronaphthalene-2-carboxylic acid?
The IUPAC name of 3-bromo-6-chloronaphthalene-2-carboxylic acid (CID 175483572) is 3-bromo-6-chloronaphthalene-2-carboxylic acid.
What is the SMILES notation for 3-bromo-6-chloronaphthalene-2-carboxylic acid?
The canonical SMILES for 3-bromo-6-chloronaphthalene-2-carboxylic acid is O=C(O)c1cc2ccc(Cl)cc2cc1Br.
What is the InChIKey of 3-bromo-6-chloronaphthalene-2-carboxylic acid?
The InChIKey is OGHSJRPSIJMBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClO2/c12-10-5-7-3-8(13)2-1-6(7)4-9(10)11(14)15/h1-5H,(H,14,15).
What are the key properties of 3-bromo-6-chloronaphthalene-2-carboxylic acid?
3-bromo-6-chloronaphthalene-2-carboxylic acid has a molecular weight of 285.52 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-chloronaphthalene-2-carboxylic acid is sourced from PubChem (CID 175483572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).