2-bromo-5-cyclopropyl-3-fluorobenzoic acid

C10H8BrFO2 — CID 58415836

IUPAC2-bromo-5-cyclopropyl-3-fluorobenzoic acid
SMILESO=C(O)c1cc(C2CC2)cc(F)c1Br
InChIInChI=1S/C10H8BrFO2/c11-9-7(10(13)14)3-6(4-8(9)12)5-1-2-5/h3-5H,1-2H2,(H,13,14)
InChIKeyPQLFNQCORKNCFY-UHFFFAOYSA-N
MW259.07 g/mol
LogP3.16
Rot. Bonds2

About 2-bromo-5-cyclopropyl-3-fluorobenzoic acid

2-bromo-5-cyclopropyl-3-fluorobenzoic acid (PubChem CID 58415836) has the molecular formula C10H8BrFO2 and a molecular weight of 259.07 g/mol. Its IUPAC name is 2-bromo-5-cyclopropyl-3-fluorobenzoic acid.

Molecular Properties

Compound Name2-bromo-5-cyclopropyl-3-fluorobenzoic acid
PubChem CID58415836
Molecular FormulaC10H8BrFO2
Molecular Weight259.07 g/mol
Exact Mass257.97
IUPAC Name2-bromo-5-cyclopropyl-3-fluorobenzoic acid
SMILESO=C(O)c1cc(C2CC2)cc(F)c1Br
InChIInChI=1S/C10H8BrFO2/c11-9-7(10(13)14)3-6(4-8(9)12)5-1-2-5/h3-5H,1-2H2,(H,13,14)
InChIKeyPQLFNQCORKNCFY-UHFFFAOYSA-N
XLogP3.16
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.07
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-cyclopropyl-3-fluorobenzoic acid?
The IUPAC name of 2-bromo-5-cyclopropyl-3-fluorobenzoic acid (CID 58415836) is 2-bromo-5-cyclopropyl-3-fluorobenzoic acid.
What is the SMILES notation for 2-bromo-5-cyclopropyl-3-fluorobenzoic acid?
The canonical SMILES for 2-bromo-5-cyclopropyl-3-fluorobenzoic acid is O=C(O)c1cc(C2CC2)cc(F)c1Br.
What is the InChIKey of 2-bromo-5-cyclopropyl-3-fluorobenzoic acid?
The InChIKey is PQLFNQCORKNCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFO2/c11-9-7(10(13)14)3-6(4-8(9)12)5-1-2-5/h3-5H,1-2H2,(H,13,14).
What are the key properties of 2-bromo-5-cyclopropyl-3-fluorobenzoic acid?
2-bromo-5-cyclopropyl-3-fluorobenzoic acid has a molecular weight of 259.07 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-cyclopropyl-3-fluorobenzoic acid is sourced from PubChem (CID 58415836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).