6-bromonaphthalene-2-carboxylic acid

C11H7BrO2 — CID 4549852

IUPAC6-bromonaphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C11H7BrO2/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h1-6H,(H,13,14)
InChIKeyNPMCAVBMOTZUPD-UHFFFAOYSA-N
MW251.08 g/mol
LogP3.30
Rot. Bonds1

About 6-bromonaphthalene-2-carboxylic acid

6-bromonaphthalene-2-carboxylic acid (PubChem CID 4549852) has the molecular formula C11H7BrO2 and a molecular weight of 251.08 g/mol. Its IUPAC name is 6-bromonaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-bromonaphthalene-2-carboxylic acid
PubChem CID4549852
Molecular FormulaC11H7BrO2
Molecular Weight251.08 g/mol
Exact Mass249.96
IUPAC Name6-bromonaphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C11H7BrO2/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h1-6H,(H,13,14)
InChIKeyNPMCAVBMOTZUPD-UHFFFAOYSA-N
XLogP3.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.08
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromonaphthalene-2-carboxylic acid?
The IUPAC name of 6-bromonaphthalene-2-carboxylic acid (CID 4549852) is 6-bromonaphthalene-2-carboxylic acid.
What is the SMILES notation for 6-bromonaphthalene-2-carboxylic acid?
The canonical SMILES for 6-bromonaphthalene-2-carboxylic acid is O=C(O)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 6-bromonaphthalene-2-carboxylic acid?
The InChIKey is NPMCAVBMOTZUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrO2/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h1-6H,(H,13,14).
What are the key properties of 6-bromonaphthalene-2-carboxylic acid?
6-bromonaphthalene-2-carboxylic acid has a molecular weight of 251.08 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromonaphthalene-2-carboxylic acid is sourced from PubChem (CID 4549852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).