8-bromo-5-chloronaphthalene-1-carboxylic acid

C11H6BrClO2 — CID 170119211

IUPAC8-bromo-5-chloronaphthalene-1-carboxylic acid
SMILESO=C(O)c1cccc2c(Cl)ccc(Br)c12
InChIInChI=1S/C11H6BrClO2/c12-8-4-5-9(13)6-2-1-3-7(10(6)8)11(14)15/h1-5H,(H,14,15)
InChIKeyRXGQQYAFKSGIEI-UHFFFAOYSA-N
MW285.52 g/mol
LogP3.95
Rot. Bonds1

About 8-bromo-5-chloronaphthalene-1-carboxylic acid

8-bromo-5-chloronaphthalene-1-carboxylic acid (PubChem CID 170119211) has the molecular formula C11H6BrClO2 and a molecular weight of 285.52 g/mol. Its IUPAC name is 8-bromo-5-chloronaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name8-bromo-5-chloronaphthalene-1-carboxylic acid
PubChem CID170119211
Molecular FormulaC11H6BrClO2
Molecular Weight285.52 g/mol
Exact Mass283.92
IUPAC Name8-bromo-5-chloronaphthalene-1-carboxylic acid
SMILESO=C(O)c1cccc2c(Cl)ccc(Br)c12
InChIInChI=1S/C11H6BrClO2/c12-8-4-5-9(13)6-2-1-3-7(10(6)8)11(14)15/h1-5H,(H,14,15)
InChIKeyRXGQQYAFKSGIEI-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

5-chloro-8-methylnaphthalene-1-carboxylic acid
CID 121008568
8-chloro-5-hydroxynaphthalene-1-carboxylic acid
CID 139711349
4,5-dichloronaphthalene-1-carboxylic acid
CID 56990997
4-bromo-1-chloro-5-phenylnaphthalene
CID 171751461
8-chloro-5-nitronaphthalene-1-carboxylic acid
CID 131851989
4-amino-3-chloronaphthalene-1,8-dicarboxylic acid
CID 142641737
2-bromo-3-chloronaphthalene-1,8-dicarboxylic acid
CID 70631094
cerium;tris(naphthalene-1,5-dicarboxylic acid)
CID 162353954
2-chlorobenzoic acid;naphthalene-1-carboxylic acid
CID 67612368
2-chloro-5-(4-chloronaphthalen-1-yl)benzoic acid
CID 79592153
3-bromo-4-chloro-2-hydroxybenzoic acid
CID 131396911
5,8-dihydroxynaphthalene-1-carboxylic acid
CID 68625233

Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-chloronaphthalene-1-carboxylic acid?
The IUPAC name of 8-bromo-5-chloronaphthalene-1-carboxylic acid (CID 170119211) is 8-bromo-5-chloronaphthalene-1-carboxylic acid.
What is the SMILES notation for 8-bromo-5-chloronaphthalene-1-carboxylic acid?
The canonical SMILES for 8-bromo-5-chloronaphthalene-1-carboxylic acid is O=C(O)c1cccc2c(Cl)ccc(Br)c12.
What is the InChIKey of 8-bromo-5-chloronaphthalene-1-carboxylic acid?
The InChIKey is RXGQQYAFKSGIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClO2/c12-8-4-5-9(13)6-2-1-3-7(10(6)8)11(14)15/h1-5H,(H,14,15).
What are the key properties of 8-bromo-5-chloronaphthalene-1-carboxylic acid?
8-bromo-5-chloronaphthalene-1-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 8-bromo-5-chloronaphthalene-1-carboxylic acid is sourced from PubChem (CID 170119211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).