2-amino-5-bromo-3-methoxybenzaldehyde

C8H8BrNO2 — CID 15380445

IUPAC2-amino-5-bromo-3-methoxybenzaldehyde
SMILESCOc1cc(Br)cc(C=O)c1N
InChIInChI=1S/C8H8BrNO2/c1-12-7-3-6(9)2-5(4-11)8(7)10/h2-4H,10H2,1H3
InChIKeyCRSJJULUCAMCNL-UHFFFAOYSA-N
MW230.06 g/mol
LogP1.85
Rot. Bonds2

About 2-amino-5-bromo-3-methoxybenzaldehyde

2-amino-5-bromo-3-methoxybenzaldehyde (PubChem CID 15380445) has the molecular formula C8H8BrNO2 and a molecular weight of 230.06 g/mol. Its IUPAC name is 2-amino-5-bromo-3-methoxybenzaldehyde.

Molecular Properties

Compound Name2-amino-5-bromo-3-methoxybenzaldehyde
PubChem CID15380445
Molecular FormulaC8H8BrNO2
Molecular Weight230.06 g/mol
Exact Mass228.97
IUPAC Name2-amino-5-bromo-3-methoxybenzaldehyde
SMILESCOc1cc(Br)cc(C=O)c1N
InChIInChI=1S/C8H8BrNO2/c1-12-7-3-6(9)2-5(4-11)8(7)10/h2-4H,10H2,1H3
InChIKeyCRSJJULUCAMCNL-UHFFFAOYSA-N
XLogP1.85
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.06
LogP ≤ 51.85
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'}

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Related Compounds

2-amino-4-bromo-3-fluoro-5-methoxybenzaldehyde
CID 164904191
5-bromo-2-ethoxy-3-methoxybenzaldehyde
CID 20994235
2-amino-5-bromo-3-(methyliminomethyl)benzaldehyde
CID 177041107
2-amino-5-bromo-3-methoxyphenol
CID 131595418
1-(2-amino-5-bromo-3-methoxyphenyl)ethanone
CID 118922526
3,5-dibromo-2-methoxybenzaldehyde
CID 1494335
2-amino-4,5-dimethoxybenzaldehyde
CID 10888543
2-amino-5-bromo-3-methoxybenzonitrile
CID 10846901
2-amino-3,5-dibromobenzaldehyde;chloroform
CID 175167427
5-bromo-3-methoxy-2-(3-methylbut-2-enylsulfanyl)benzaldehyde
CID 87670437
2-amino-5-iodo-4-methoxybenzaldehyde
CID 121473317
5-bromo-2-[2-(2,6-dimethylphenoxy)ethoxy]-3-methoxybenzaldehyde
CID 22683877

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-3-methoxybenzaldehyde?
The IUPAC name of 2-amino-5-bromo-3-methoxybenzaldehyde (CID 15380445) is 2-amino-5-bromo-3-methoxybenzaldehyde.
What is the SMILES notation for 2-amino-5-bromo-3-methoxybenzaldehyde?
The canonical SMILES for 2-amino-5-bromo-3-methoxybenzaldehyde is COc1cc(Br)cc(C=O)c1N.
What is the InChIKey of 2-amino-5-bromo-3-methoxybenzaldehyde?
The InChIKey is CRSJJULUCAMCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO2/c1-12-7-3-6(9)2-5(4-11)8(7)10/h2-4H,10H2,1H3.
What are the key properties of 2-amino-5-bromo-3-methoxybenzaldehyde?
2-amino-5-bromo-3-methoxybenzaldehyde has a molecular weight of 230.06 g/mol, XLogP of 1.85, 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-methoxybenzaldehyde is sourced from PubChem (CID 15380445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).