8-bromo-1-fluoronaphthalene-2-carboxylic acid

C11H6BrFO2 — CID 115050077

IUPAC8-bromo-1-fluoronaphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2cccc(Br)c2c1F
InChIInChI=1S/C11H6BrFO2/c12-8-3-1-2-6-4-5-7(11(14)15)10(13)9(6)8/h1-5H,(H,14,15)
InChIKeyIANPPRXNCPSJOI-UHFFFAOYSA-N
MW269.07 g/mol
LogP3.44
Rot. Bonds1

About 8-bromo-1-fluoronaphthalene-2-carboxylic acid

8-bromo-1-fluoronaphthalene-2-carboxylic acid (PubChem CID 115050077) has the molecular formula C11H6BrFO2 and a molecular weight of 269.07 g/mol. Its IUPAC name is 8-bromo-1-fluoronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name8-bromo-1-fluoronaphthalene-2-carboxylic acid
PubChem CID115050077
Molecular FormulaC11H6BrFO2
Molecular Weight269.07 g/mol
Exact Mass267.95
IUPAC Name8-bromo-1-fluoronaphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2cccc(Br)c2c1F
InChIInChI=1S/C11H6BrFO2/c12-8-3-1-2-6-4-5-7(11(14)15)10(13)9(6)8/h1-5H,(H,14,15)
InChIKeyIANPPRXNCPSJOI-UHFFFAOYSA-N
XLogP3.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.07
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(8-bromonaphthalen-1-yl)benzoic acid
CID 102060939
benzene;naphthalene-1,8-dicarboxylic acid
CID 174823001
naphthalene-1,8-dicarboxylic acid;silver
CID 91865760
2-bromo-3,4-difluorobenzoic acid
CID 22621204
tris(8-bromonaphthalene-1-carboxylate);indium(3+)
CID 22604448
sodium;hydride;naphthalene-1,8-dicarboxylic acid
CID 175149963
4-bromo-2-fluoro-3-(trifluoromethyl)benzoic acid
CID 19358335
1,8-dimethylnaphthalene-2-carboxylic acid
CID 115057529
3-borono-4-bromo-2-fluorobenzoic acid
CID 162421087
coronene;phthalic acid
CID 174757958
naphthalene;naphthalene-1,4,5,8-tetracarboxylic acid
CID 160598160
3-bromo-2-hydroxybenzoic acid
CID 520927

Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-fluoronaphthalene-2-carboxylic acid?
The IUPAC name of 8-bromo-1-fluoronaphthalene-2-carboxylic acid (CID 115050077) is 8-bromo-1-fluoronaphthalene-2-carboxylic acid.
What is the SMILES notation for 8-bromo-1-fluoronaphthalene-2-carboxylic acid?
The canonical SMILES for 8-bromo-1-fluoronaphthalene-2-carboxylic acid is O=C(O)c1ccc2cccc(Br)c2c1F.
What is the InChIKey of 8-bromo-1-fluoronaphthalene-2-carboxylic acid?
The InChIKey is IANPPRXNCPSJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrFO2/c12-8-3-1-2-6-4-5-7(11(14)15)10(13)9(6)8/h1-5H,(H,14,15).
What are the key properties of 8-bromo-1-fluoronaphthalene-2-carboxylic acid?
8-bromo-1-fluoronaphthalene-2-carboxylic acid has a molecular weight of 269.07 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1-fluoronaphthalene-2-carboxylic acid is sourced from PubChem (CID 115050077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).