4-bromo-2-fluoronaphthalene-1-carboxylic acid

C11H6BrFO2 — CID 170334354

IUPAC4-bromo-2-fluoronaphthalene-1-carboxylic acid
SMILESO=C(O)c1c(F)cc(Br)c2ccccc12
InChIInChI=1S/C11H6BrFO2/c12-8-5-9(13)10(11(14)15)7-4-2-1-3-6(7)8/h1-5H,(H,14,15)
InChIKeyOKDKWUIQJGEPMJ-UHFFFAOYSA-N
MW269.07 g/mol
LogP3.44
Rot. Bonds1

About 4-bromo-2-fluoronaphthalene-1-carboxylic acid

4-bromo-2-fluoronaphthalene-1-carboxylic acid (PubChem CID 170334354) has the molecular formula C11H6BrFO2 and a molecular weight of 269.07 g/mol. Its IUPAC name is 4-bromo-2-fluoronaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name4-bromo-2-fluoronaphthalene-1-carboxylic acid
PubChem CID170334354
Molecular FormulaC11H6BrFO2
Molecular Weight269.07 g/mol
Exact Mass267.95
IUPAC Name4-bromo-2-fluoronaphthalene-1-carboxylic acid
SMILESO=C(O)c1c(F)cc(Br)c2ccccc12
InChIInChI=1S/C11H6BrFO2/c12-8-5-9(13)10(11(14)15)7-4-2-1-3-6(7)8/h1-5H,(H,14,15)
InChIKeyOKDKWUIQJGEPMJ-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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoronaphthalene-1-carboxylic acid?
The IUPAC name of 4-bromo-2-fluoronaphthalene-1-carboxylic acid (CID 170334354) is 4-bromo-2-fluoronaphthalene-1-carboxylic acid.
What is the SMILES notation for 4-bromo-2-fluoronaphthalene-1-carboxylic acid?
The canonical SMILES for 4-bromo-2-fluoronaphthalene-1-carboxylic acid is O=C(O)c1c(F)cc(Br)c2ccccc12.
What is the InChIKey of 4-bromo-2-fluoronaphthalene-1-carboxylic acid?
The InChIKey is OKDKWUIQJGEPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrFO2/c12-8-5-9(13)10(11(14)15)7-4-2-1-3-6(7)8/h1-5H,(H,14,15).
What are the key properties of 4-bromo-2-fluoronaphthalene-1-carboxylic acid?
4-bromo-2-fluoronaphthalene-1-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 4-bromo-2-fluoronaphthalene-1-carboxylic acid is sourced from PubChem (CID 170334354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).