2-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzoic acid

C14H10BrNO3 — CID 691000

IUPAC2-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzoic acid
SMILESO=C(O)c1ccccc1/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C14H10BrNO3/c15-10-5-6-13(17)9(7-10)8-16-12-4-2-1-3-11(12)14(18)19/h1-8,17H,(H,18,19)/b16-8+
InChIKeyNQGZOBSSPFKBAH-LZYBPNLTSA-N
MW320.14 g/mol
LogP3.60
Rot. Bonds3

About 2-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzoic acid

2-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzoic acid (PubChem CID 691000) has the molecular formula C14H10BrNO3 and a molecular weight of 320.14 g/mol. Its IUPAC name is 2-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzoic acid.

Molecular Properties

Compound Name2-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzoic acid
PubChem CID691000
Molecular FormulaC14H10BrNO3
Molecular Weight320.14 g/mol
Exact Mass318.98
IUPAC Name2-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzoic acid
SMILESO=C(O)c1ccccc1/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C14H10BrNO3/c15-10-5-6-13(17)9(7-10)8-16-12-4-2-1-3-11(12)14(18)19/h1-8,17H,(H,18,19)/b16-8+
InChIKeyNQGZOBSSPFKBAH-LZYBPNLTSA-N
XLogP3.60
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.14
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzoic acid?
The IUPAC name of 2-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzoic acid (CID 691000) is 2-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzoic acid.
What is the SMILES notation for 2-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzoic acid?
The canonical SMILES for 2-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzoic acid is O=C(O)c1ccccc1/N=C/c1cc(Br)ccc1O.
What is the InChIKey of 2-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzoic acid?
The InChIKey is NQGZOBSSPFKBAH-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H10BrNO3/c15-10-5-6-13(17)9(7-10)8-16-12-4-2-1-3-11(12)14(18)19/h1-8,17H,(H,18,19)/b16-8+.
What are the key properties of 2-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzoic acid?
2-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzoic acid has a molecular weight of 320.14 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzoic acid is sourced from PubChem (CID 691000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).