3-amino-5-bromo-2-cyclopropyloxybenzoic acid

C10H10BrNO3 — CID 84713133

IUPAC3-amino-5-bromo-2-cyclopropyloxybenzoic acid
SMILESNc1cc(Br)cc(C(=O)O)c1OC1CC1
InChIInChI=1S/C10H10BrNO3/c11-5-3-7(10(13)14)9(8(12)4-5)15-6-1-2-6/h3-4,6H,1-2,12H2,(H,13,14)
InChIKeyFSEYAPOZDJVGTP-UHFFFAOYSA-N
MW272.10 g/mol
LogP2.27
Rot. Bonds3

About 3-amino-5-bromo-2-cyclopropyloxybenzoic acid

3-amino-5-bromo-2-cyclopropyloxybenzoic acid (PubChem CID 84713133) has the molecular formula C10H10BrNO3 and a molecular weight of 272.10 g/mol. Its IUPAC name is 3-amino-5-bromo-2-cyclopropyloxybenzoic acid.

Molecular Properties

Compound Name3-amino-5-bromo-2-cyclopropyloxybenzoic acid
PubChem CID84713133
Molecular FormulaC10H10BrNO3
Molecular Weight272.10 g/mol
Exact Mass270.98
IUPAC Name3-amino-5-bromo-2-cyclopropyloxybenzoic acid
SMILESNc1cc(Br)cc(C(=O)O)c1OC1CC1
InChIInChI=1S/C10H10BrNO3/c11-5-3-7(10(13)14)9(8(12)4-5)15-6-1-2-6/h3-4,6H,1-2,12H2,(H,13,14)
InChIKeyFSEYAPOZDJVGTP-UHFFFAOYSA-N
XLogP2.27
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-2-cyclopropyloxybenzoic acid?
The IUPAC name of 3-amino-5-bromo-2-cyclopropyloxybenzoic acid (CID 84713133) is 3-amino-5-bromo-2-cyclopropyloxybenzoic acid.
What is the SMILES notation for 3-amino-5-bromo-2-cyclopropyloxybenzoic acid?
The canonical SMILES for 3-amino-5-bromo-2-cyclopropyloxybenzoic acid is Nc1cc(Br)cc(C(=O)O)c1OC1CC1.
What is the InChIKey of 3-amino-5-bromo-2-cyclopropyloxybenzoic acid?
The InChIKey is FSEYAPOZDJVGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO3/c11-5-3-7(10(13)14)9(8(12)4-5)15-6-1-2-6/h3-4,6H,1-2,12H2,(H,13,14).
What are the key properties of 3-amino-5-bromo-2-cyclopropyloxybenzoic acid?
3-amino-5-bromo-2-cyclopropyloxybenzoic acid has a molecular weight of 272.10 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-2-cyclopropyloxybenzoic acid is sourced from PubChem (CID 84713133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).