5-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-hydroxybenzoic acid

C16H14BrNO5 — CID 50885112

IUPAC5-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-hydroxybenzoic acid
SMILESCOc1cc(/C=N/c2ccc(O)c(C(=O)O)c2)cc(Br)c1OC
InChIInChI=1S/C16H14BrNO5/c1-22-14-6-9(5-12(17)15(14)23-2)8-18-10-3-4-13(19)11(7-10)16(20)21/h3-8,19H,1-2H3,(H,20,21)/b18-8+
InChIKeyISEAUPAZCPFPKL-QGMBQPNBSA-N
MW380.19 g/mol
LogP3.62
Rot. Bonds5

About 5-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-hydroxybenzoic acid

5-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-hydroxybenzoic acid (PubChem CID 50885112) has the molecular formula C16H14BrNO5 and a molecular weight of 380.19 g/mol. Its IUPAC name is 5-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-hydroxybenzoic acid
PubChem CID50885112
Molecular FormulaC16H14BrNO5
Molecular Weight380.19 g/mol
Exact Mass379.01
IUPAC Name5-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-hydroxybenzoic acid
SMILESCOc1cc(/C=N/c2ccc(O)c(C(=O)O)c2)cc(Br)c1OC
InChIInChI=1S/C16H14BrNO5/c1-22-14-6-9(5-12(17)15(14)23-2)8-18-10-3-4-13(19)11(7-10)16(20)21/h3-8,19H,1-2H3,(H,20,21)/b18-8+
InChIKeyISEAUPAZCPFPKL-QGMBQPNBSA-N
XLogP3.62
TPSA88.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.19
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-bromo-4-[(4-hydroxyphenyl)iminomethyl]-6-methoxyphenyl] 3-phenylprop-2-enoate
CID 164824176
3-bromo-2-methoxy-5-[(4-methoxyphenyl)iminomethyl]phenol
CID 71417095
4-[(4-bromo-3-chlorophenyl)iminomethyl]-2-methoxyphenol
CID 681301
2-hydroxy-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylideneamino]benzoic acid
CID 126114890
1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-phenylmethanimine
CID 50885405
[2-bromo-4-[(4-hydroxyphenyl)iminomethyl]-6-methoxyphenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 164824274
5-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-hydroxybenzoic acid
CID 50885110
(NZ)-N-[(3-bromo-4,5-dimethoxyphenyl)methylidene]benzenesulfonamide
CID 110518789
N-[4-[(3,4,5-trimethoxyphenyl)methylideneamino]phenyl]acetamide
CID 694284
1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-(4-methylphenyl)methanimine
CID 50885371
2-bromo-4-[(4-ethylphenyl)iminomethyl]-6-methoxyphenol
CID 137021949
1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-methylphenyl)methanimine
CID 126219299

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-hydroxybenzoic acid?
The IUPAC name of 5-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-hydroxybenzoic acid (CID 50885112) is 5-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-hydroxybenzoic acid is COc1cc(/C=N/c2ccc(O)c(C(=O)O)c2)cc(Br)c1OC.
What is the InChIKey of 5-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-hydroxybenzoic acid?
The InChIKey is ISEAUPAZCPFPKL-QGMBQPNBSA-N. The full InChI is InChI=1S/C16H14BrNO5/c1-22-14-6-9(5-12(17)15(14)23-2)8-18-10-3-4-13(19)11(7-10)16(20)21/h3-8,19H,1-2H3,(H,20,21)/b18-8+.
What are the key properties of 5-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-hydroxybenzoic acid?
5-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-hydroxybenzoic acid has a molecular weight of 380.19 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-hydroxybenzoic acid is sourced from PubChem (CID 50885112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).