2-bromo-5-fluorobenzoic acid

C7H4BrFO2 — CID 2778181

IUPAC2-bromo-5-fluorobenzoic acid
SMILESO=C(O)c1cc(F)ccc1Br
InChIInChI=1S/C7H4BrFO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,(H,10,11)
InChIKeyOQBMJMJZMDBQSM-UHFFFAOYSA-N
MW219.01 g/mol
LogP2.29
Rot. Bonds1

About 2-bromo-5-fluorobenzoic acid

2-bromo-5-fluorobenzoic acid (PubChem CID 2778181) has the molecular formula C7H4BrFO2 and a molecular weight of 219.01 g/mol. Its IUPAC name is 2-bromo-5-fluorobenzoic acid.

Molecular Properties

Compound Name2-bromo-5-fluorobenzoic acid
PubChem CID2778181
Molecular FormulaC7H4BrFO2
Molecular Weight219.01 g/mol
Exact Mass217.94
IUPAC Name2-bromo-5-fluorobenzoic acid
SMILESO=C(O)c1cc(F)ccc1Br
InChIInChI=1S/C7H4BrFO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,(H,10,11)
InChIKeyOQBMJMJZMDBQSM-UHFFFAOYSA-N
XLogP2.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.01
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluorobenzoic acid?
The IUPAC name of 2-bromo-5-fluorobenzoic acid (CID 2778181) is 2-bromo-5-fluorobenzoic acid.
What is the SMILES notation for 2-bromo-5-fluorobenzoic acid?
The canonical SMILES for 2-bromo-5-fluorobenzoic acid is O=C(O)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-5-fluorobenzoic acid?
The InChIKey is OQBMJMJZMDBQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrFO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,(H,10,11).
What are the key properties of 2-bromo-5-fluorobenzoic acid?
2-bromo-5-fluorobenzoic acid has a molecular weight of 219.01 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluorobenzoic acid is sourced from PubChem (CID 2778181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).