2-amino-5-bromo-3-(methyliminomethyl)benzaldehyde

C9H9BrN2O — CID 177041107

IUPAC2-amino-5-bromo-3-(methyliminomethyl)benzaldehyde
SMILESC/N=C/c1cc(Br)cc(C=O)c1N
InChIInChI=1S/C9H9BrN2O/c1-12-4-6-2-8(10)3-7(5-13)9(6)11/h2-5H,11H2,1H3/b12-4+
InChIKeyJUJDTEAXUFFVML-UUILKARUSA-N
MW241.09 g/mol
LogP1.89
Rot. Bonds2

About 2-amino-5-bromo-3-(methyliminomethyl)benzaldehyde

2-amino-5-bromo-3-(methyliminomethyl)benzaldehyde (PubChem CID 177041107) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is 2-amino-5-bromo-3-(methyliminomethyl)benzaldehyde.

Molecular Properties

Compound Name2-amino-5-bromo-3-(methyliminomethyl)benzaldehyde
PubChem CID177041107
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC Name2-amino-5-bromo-3-(methyliminomethyl)benzaldehyde
SMILESC/N=C/c1cc(Br)cc(C=O)c1N
InChIInChI=1S/C9H9BrN2O/c1-12-4-6-2-8(10)3-7(5-13)9(6)11/h2-5H,11H2,1H3/b12-4+
InChIKeyJUJDTEAXUFFVML-UUILKARUSA-N
XLogP1.89
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dibromo-6-(methyliminomethyl)aniline
CID 164843127
2-amino-5-bromo-3-methoxybenzaldehyde
CID 15380445
methyl 2-amino-5-bromo-3-(methyliminomethyl)benzoate
CID 171528052
2-amino-3,5-dibromobenzaldehyde;chloroform
CID 175167427
3-amino-5-bromo-2,4-dimethylbenzaldehyde
CID 129108724
4,5,6-triaminobenzene-1,3-dicarbaldehyde
CID 2750253
5-bromo-2-hydroxy-3-methylbenzaldehyde
CID 2757016
1-amino-4-bromo-9,10-dioxoanthracene-2-carbaldehyde
CID 627335
5-bromo-2-fluoro-3-methylbenzaldehyde;(NE)-N-[(5-bromo-2-fluoro-3-methylphenyl)methylidene]hydroxylamine
CID 172961241
3,5-dibromo-2-methoxybenzaldehyde
CID 1494335
3,6-dibromo-1-benzothiophene-4-carbaldehyde
CID 131138177
2-amino-4-bromo-3-fluoro-5-methoxybenzaldehyde
CID 164904191

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-3-(methyliminomethyl)benzaldehyde?
The IUPAC name of 2-amino-5-bromo-3-(methyliminomethyl)benzaldehyde (CID 177041107) is 2-amino-5-bromo-3-(methyliminomethyl)benzaldehyde.
What is the SMILES notation for 2-amino-5-bromo-3-(methyliminomethyl)benzaldehyde?
The canonical SMILES for 2-amino-5-bromo-3-(methyliminomethyl)benzaldehyde is C/N=C/c1cc(Br)cc(C=O)c1N.
What is the InChIKey of 2-amino-5-bromo-3-(methyliminomethyl)benzaldehyde?
The InChIKey is JUJDTEAXUFFVML-UUILKARUSA-N. The full InChI is InChI=1S/C9H9BrN2O/c1-12-4-6-2-8(10)3-7(5-13)9(6)11/h2-5H,11H2,1H3/b12-4+.
What are the key properties of 2-amino-5-bromo-3-(methyliminomethyl)benzaldehyde?
2-amino-5-bromo-3-(methyliminomethyl)benzaldehyde has a molecular weight of 241.09 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-3-(methyliminomethyl)benzaldehyde is sourced from PubChem (CID 177041107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).