6-acetyl-3-bromo-2-methylbenzaldehyde

C10H9BrO2 — CID 171002269

IUPAC6-acetyl-3-bromo-2-methylbenzaldehyde
SMILESCC(=O)c1ccc(Br)c(C)c1C=O
InChIInChI=1S/C10H9BrO2/c1-6-9(5-12)8(7(2)13)3-4-10(6)11/h3-5H,1-2H3
InChIKeyMZWWWLANQAEZKU-UHFFFAOYSA-N
MW241.08 g/mol
LogP2.77
Rot. Bonds2

About 6-acetyl-3-bromo-2-methylbenzaldehyde

6-acetyl-3-bromo-2-methylbenzaldehyde (PubChem CID 171002269) has the molecular formula C10H9BrO2 and a molecular weight of 241.08 g/mol. Its IUPAC name is 6-acetyl-3-bromo-2-methylbenzaldehyde.

Molecular Properties

Compound Name6-acetyl-3-bromo-2-methylbenzaldehyde
PubChem CID171002269
Molecular FormulaC10H9BrO2
Molecular Weight241.08 g/mol
Exact Mass239.98
IUPAC Name6-acetyl-3-bromo-2-methylbenzaldehyde
SMILESCC(=O)c1ccc(Br)c(C)c1C=O
InChIInChI=1S/C10H9BrO2/c1-6-9(5-12)8(7(2)13)3-4-10(6)11/h3-5H,1-2H3
InChIKeyMZWWWLANQAEZKU-UHFFFAOYSA-N
XLogP2.77
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.08
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-acetyl-6-bromo-2-chlorobenzaldehyde
CID 171000505
6-acetyl-3-bromo-2-(difluoromethyl)benzaldehyde
CID 171001474
N-(6-acetyl-3-bromo-2-methylphenyl)formamide
CID 167161838
2-acetyl-3,6-dibromobenzaldehyde
CID 171008507
3-acetyl-2-bromo-6-chlorobenzaldehyde
CID 171000511
3-acetyl-2-bromo-6-fluorobenzaldehyde
CID 171001660
4-acetyl-3-bromobenzaldehyde
CID 170904389
3-acetyl-2-bromo-6-methoxybenzaldehyde
CID 171009224
1-(7-bromo-2,3-dimethyl-1-benzofuran-4-yl)ethanone
CID 121014942
2-acetyl-3-bromo-6-methoxybenzaldehyde
CID 171009062
5-acetyl-8-bromo-3-methyl-2-phenylchromen-4-one
CID 174321566
6-acetyl-3-iodo-2-(trifluoromethyl)benzaldehyde
CID 171016574

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-3-bromo-2-methylbenzaldehyde?
The IUPAC name of 6-acetyl-3-bromo-2-methylbenzaldehyde (CID 171002269) is 6-acetyl-3-bromo-2-methylbenzaldehyde.
What is the SMILES notation for 6-acetyl-3-bromo-2-methylbenzaldehyde?
The canonical SMILES for 6-acetyl-3-bromo-2-methylbenzaldehyde is CC(=O)c1ccc(Br)c(C)c1C=O.
What is the InChIKey of 6-acetyl-3-bromo-2-methylbenzaldehyde?
The InChIKey is MZWWWLANQAEZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO2/c1-6-9(5-12)8(7(2)13)3-4-10(6)11/h3-5H,1-2H3.
What are the key properties of 6-acetyl-3-bromo-2-methylbenzaldehyde?
6-acetyl-3-bromo-2-methylbenzaldehyde has a molecular weight of 241.08 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-3-bromo-2-methylbenzaldehyde is sourced from PubChem (CID 171002269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).