4-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzoic acid

C14H10BrNO3 — CID 768152

IUPAC4-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzoic acid
SMILESO=C(O)c1ccc(/N=C/c2cc(Br)ccc2O)cc1
InChIInChI=1S/C14H10BrNO3/c15-11-3-6-13(17)10(7-11)8-16-12-4-1-9(2-5-12)14(18)19/h1-8,17H,(H,18,19)/b16-8+
InChIKeyDPNSNZZTWGHWJB-LZYBPNLTSA-N
MW320.14 g/mol
LogP3.60
Rot. Bonds3

About 4-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzoic acid

4-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzoic acid (PubChem CID 768152) has the molecular formula C14H10BrNO3 and a molecular weight of 320.14 g/mol. Its IUPAC name is 4-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzoic acid.

Molecular Properties

Compound Name4-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzoic acid
PubChem CID768152
Molecular FormulaC14H10BrNO3
Molecular Weight320.14 g/mol
Exact Mass318.98
IUPAC Name4-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzoic acid
SMILESO=C(O)c1ccc(/N=C/c2cc(Br)ccc2O)cc1
InChIInChI=1S/C14H10BrNO3/c15-11-3-6-13(17)10(7-11)8-16-12-4-1-9(2-5-12)14(18)19/h1-8,17H,(H,18,19)/b16-8+
InChIKeyDPNSNZZTWGHWJB-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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Related Compounds

N-(4-Carboxyphenyl)salicylideneimine
CID 97114
Methyl 4-(4-hydroxybenzylideneamino)benzoate
CID 969280
4-(4-Hydroxybenzylideneamino)benzoic acid
CID 2306645
4'-(2-Hydroxybenzylideneamino)acetophenone
CID 136627
3-[(3,5-Dibromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-2-methylbenzoic acid
CID 3610881
Ethyl 4-(2-hydroxybenzylideneamino)benzoate
CID 291004
2-((5-Bromo-2-oxybenzylidene)amino)benzoato-diaqua-oxovanadium(IV) (1)
CID 136351657
4-((2,4-Dihydroxy-benzylidene)-amino)-benzoic acid
CID 785108
3-{[(1E)-(3,5-dibromo-2-hydroxyphenyl)methylene]amino}-4-methylbenzoic acid
CID 4220651
Benzoic acid, 2-hydroxy-4-[[(2-hydroxyphenyl)methylene]amino]-
CID 3406902
4-(((2-Bromo-5-methoxyphenyl)methylene)amino)benzoic acid
CID 3055053
Benzoic acid, 2-[[(5-bromo-2-hydroxyphenyl)methylene]amino]-
CID 691000

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzoic acid?
The IUPAC name of 4-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzoic acid (CID 768152) is 4-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzoic acid.
What is the SMILES notation for 4-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzoic acid?
The canonical SMILES for 4-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzoic acid is O=C(O)c1ccc(/N=C/c2cc(Br)ccc2O)cc1.
What is the InChIKey of 4-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzoic acid?
The InChIKey is DPNSNZZTWGHWJB-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H10BrNO3/c15-11-3-6-13(17)10(7-11)8-16-12-4-1-9(2-5-12)14(18)19/h1-8,17H,(H,18,19)/b16-8+.
What are the key properties of 4-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzoic acid?
4-[(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 4-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzoic acid is sourced from PubChem (CID 768152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).