2-amino-6-bromo-4-methylbenzaldehyde

C8H8BrNO — CID 131099846

IUPAC2-amino-6-bromo-4-methylbenzaldehyde
SMILESCc1cc(N)c(C=O)c(Br)c1
InChIInChI=1S/C8H8BrNO/c1-5-2-7(9)6(4-11)8(10)3-5/h2-4H,10H2,1H3
InChIKeyNQUBAFZXKDLFEW-UHFFFAOYSA-N
MW214.06 g/mol
LogP2.15
Rot. Bonds1

About 2-amino-6-bromo-4-methylbenzaldehyde

2-amino-6-bromo-4-methylbenzaldehyde (PubChem CID 131099846) has the molecular formula C8H8BrNO and a molecular weight of 214.06 g/mol. Its IUPAC name is 2-amino-6-bromo-4-methylbenzaldehyde.

Molecular Properties

Compound Name2-amino-6-bromo-4-methylbenzaldehyde
PubChem CID131099846
Molecular FormulaC8H8BrNO
Molecular Weight214.06 g/mol
Exact Mass212.98
IUPAC Name2-amino-6-bromo-4-methylbenzaldehyde
SMILESCc1cc(N)c(C=O)c(Br)c1
InChIInChI=1S/C8H8BrNO/c1-5-2-7(9)6(4-11)8(10)3-5/h2-4H,10H2,1H3
InChIKeyNQUBAFZXKDLFEW-UHFFFAOYSA-N
XLogP2.15
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.06
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-3-bromobenzaldehyde
CID 10081484
2-Amino-4-methylbenzaldehyde
CID 13891184
2-Amino-6-bromobenzaldehyde
CID 15063175
2-Amino-5-bromobenzaldehyde
CID 23510475
2-Amino-4-bromobenzaldehyde
CID 17914598
6-Amino-3-bromo-2-fluorobenzaldehyde
CID 59325301
2-Amino-4-bromo-5-fluorobenzaldehyde
CID 86726862
2-Amino-4-(trifluoromethyl)-6-bromobenzaldehyde
CID 54756639
3-Bromo-4-methyl-5-nitrobenzaldehyde
CID 130140682
1-(2-Amino-5-bromo-4-methylphenyl)ethanone
CID 45098026
2-Amino-6-bromobenzamide
CID 67055862
2-Amino-3,6-dibromobenzaldehyde
CID 89350940

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-bromo-4-methylbenzaldehyde?
The IUPAC name of 2-amino-6-bromo-4-methylbenzaldehyde (CID 131099846) is 2-amino-6-bromo-4-methylbenzaldehyde.
What is the SMILES notation for 2-amino-6-bromo-4-methylbenzaldehyde?
The canonical SMILES for 2-amino-6-bromo-4-methylbenzaldehyde is Cc1cc(N)c(C=O)c(Br)c1.
What is the InChIKey of 2-amino-6-bromo-4-methylbenzaldehyde?
The InChIKey is NQUBAFZXKDLFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO/c1-5-2-7(9)6(4-11)8(10)3-5/h2-4H,10H2,1H3.
What are the key properties of 2-amino-6-bromo-4-methylbenzaldehyde?
2-amino-6-bromo-4-methylbenzaldehyde has a molecular weight of 214.06 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-bromo-4-methylbenzaldehyde is sourced from PubChem (CID 131099846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).