5,7-dibromonaphthalene-1-carboxylic acid

C11H6Br2O2 — CID 15169765

IUPAC5,7-dibromonaphthalene-1-carboxylic acid
SMILESO=C(O)c1cccc2c(Br)cc(Br)cc12
InChIInChI=1S/C11H6Br2O2/c12-6-4-9-7(10(13)5-6)2-1-3-8(9)11(14)15/h1-5H,(H,14,15)
InChIKeyRRPHNCFCFLPWNB-UHFFFAOYSA-N
MW329.98 g/mol
LogP4.06
Rot. Bonds1

About 5,7-dibromonaphthalene-1-carboxylic acid

5,7-dibromonaphthalene-1-carboxylic acid (PubChem CID 15169765) has the molecular formula C11H6Br2O2 and a molecular weight of 329.98 g/mol. Its IUPAC name is 5,7-dibromonaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name5,7-dibromonaphthalene-1-carboxylic acid
PubChem CID15169765
Molecular FormulaC11H6Br2O2
Molecular Weight329.98 g/mol
Exact Mass327.87
IUPAC Name5,7-dibromonaphthalene-1-carboxylic acid
SMILESO=C(O)c1cccc2c(Br)cc(Br)cc12
InChIInChI=1S/C11H6Br2O2/c12-6-4-9-7(10(13)5-6)2-1-3-8(9)11(14)15/h1-5H,(H,14,15)
InChIKeyRRPHNCFCFLPWNB-UHFFFAOYSA-N
XLogP4.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.98
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5,7-dibromonaphthalen-1-yl)butane-1,3-dione
CID 15169769
cerium;tris(naphthalene-1,5-dicarboxylic acid)
CID 162353954
8-(2,4,6-tribromophenoxy)carbonylnaphthalene-1-carboxylic acid
CID 162117011
5-bromonaphthalene-1-carboxylic acid;(5-bromonaphthalen-1-yl)methanol
CID 158385324
(2,4,6-tribromophenyl) naphthalene-1-carboxylate
CID 4586991
3,5-dibromo-2-methoxybenzoic acid
CID 643392
2,4-dibromobenzoic acid
CID 11896
3-bromo-2-hydroxybenzoic acid
CID 520927
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
2-(2,4-dibromophenyl)benzoic acid
CID 175057498
4-bromoquinoline-8-carboxylic acid
CID 71742974
8-bromo-5-chloronaphthalene-1-carboxylic acid
CID 170119211

Frequently Asked Questions

What is the IUPAC name of 5,7-dibromonaphthalene-1-carboxylic acid?
The IUPAC name of 5,7-dibromonaphthalene-1-carboxylic acid (CID 15169765) is 5,7-dibromonaphthalene-1-carboxylic acid.
What is the SMILES notation for 5,7-dibromonaphthalene-1-carboxylic acid?
The canonical SMILES for 5,7-dibromonaphthalene-1-carboxylic acid is O=C(O)c1cccc2c(Br)cc(Br)cc12.
What is the InChIKey of 5,7-dibromonaphthalene-1-carboxylic acid?
The InChIKey is RRPHNCFCFLPWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br2O2/c12-6-4-9-7(10(13)5-6)2-1-3-8(9)11(14)15/h1-5H,(H,14,15).
What are the key properties of 5,7-dibromonaphthalene-1-carboxylic acid?
5,7-dibromonaphthalene-1-carboxylic acid has a molecular weight of 329.98 g/mol, XLogP of 4.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dibromonaphthalene-1-carboxylic acid is sourced from PubChem (CID 15169765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).