4-bromo-2-methyl-1,3-dihydroisoindole-1-carbaldehyde

C10H10BrNO — CID 174643248

IUPAC4-bromo-2-methyl-1,3-dihydroisoindole-1-carbaldehyde
SMILESCN1Cc2c(Br)cccc2C1C=O
InChIInChI=1S/C10H10BrNO/c1-12-5-8-7(10(12)6-13)3-2-4-9(8)11/h2-4,6,10H,5H2,1H3
InChIKeyJTQVWFAJENMEOI-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.13
Rot. Bonds1

About 4-bromo-2-methyl-1,3-dihydroisoindole-1-carbaldehyde

4-bromo-2-methyl-1,3-dihydroisoindole-1-carbaldehyde (PubChem CID 174643248) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is 4-bromo-2-methyl-1,3-dihydroisoindole-1-carbaldehyde.

Molecular Properties

Compound Name4-bromo-2-methyl-1,3-dihydroisoindole-1-carbaldehyde
PubChem CID174643248
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name4-bromo-2-methyl-1,3-dihydroisoindole-1-carbaldehyde
SMILESCN1Cc2c(Br)cccc2C1C=O
InChIInChI=1S/C10H10BrNO/c1-12-5-8-7(10(12)6-13)3-2-4-9(8)11/h2-4,6,10H,5H2,1H3
InChIKeyJTQVWFAJENMEOI-UHFFFAOYSA-N
XLogP2.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.13
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

7-Bromo-2-methylisoindolin-1-one
CID 71306073
2-(4-Bromo-3-fluorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetaldehyde
CID 90284728
2-[Bis(prop-2-enyl)amino]-2-(5-bromo-2-fluorophenyl)acetaldehyde
CID 118956633
5-Bromo-2-[(3-fluorophenyl)methyl]-7-methyl-1,3-dihydroisoindole-1-carbaldehyde
CID 174526590
5-Bromo-2-[(2-fluorophenyl)methyl]-7-methyl-1,3-dihydroisoindole-1-carbaldehyde
CID 174539870
5-Bromo-2-[(4-fluoro-3-methylphenyl)methyl]-7-methyl-1,3-dihydroisoindole-1-carbaldehyde
CID 174539929
2-(5-Bromo-2-fluorophenyl)-2-(dimethylamino)acetaldehyde
CID 116908699
2-Methyl-1,3-dihydroisoindole-1-carbaldehyde
CID 53968131
4-bromo-2-heptan-4-yl-3H-isoindol-1-one
CID 68474698
7-bromo-2-octan-3-yl-3H-isoindol-1-one
CID 69463319
7-Bromo-2-isopropylisoindolin-1-one
CID 83825497
2-(4-Bromophenyl)-2-pyrrolidin-1-ylacetaldehyde
CID 87416899

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-1,3-dihydroisoindole-1-carbaldehyde?
The IUPAC name of 4-bromo-2-methyl-1,3-dihydroisoindole-1-carbaldehyde (CID 174643248) is 4-bromo-2-methyl-1,3-dihydroisoindole-1-carbaldehyde.
What is the SMILES notation for 4-bromo-2-methyl-1,3-dihydroisoindole-1-carbaldehyde?
The canonical SMILES for 4-bromo-2-methyl-1,3-dihydroisoindole-1-carbaldehyde is CN1Cc2c(Br)cccc2C1C=O.
What is the InChIKey of 4-bromo-2-methyl-1,3-dihydroisoindole-1-carbaldehyde?
The InChIKey is JTQVWFAJENMEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO/c1-12-5-8-7(10(12)6-13)3-2-4-9(8)11/h2-4,6,10H,5H2,1H3.
What are the key properties of 4-bromo-2-methyl-1,3-dihydroisoindole-1-carbaldehyde?
4-bromo-2-methyl-1,3-dihydroisoindole-1-carbaldehyde has a molecular weight of 240.10 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-1,3-dihydroisoindole-1-carbaldehyde is sourced from PubChem (CID 174643248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).