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

C10H10BrNO — CID 174652351

IUPAC5-bromo-2-methyl-1,3-dihydroisoindole-1-carbaldehyde
SMILESCN1Cc2cc(Br)ccc2C1C=O
InChIInChI=1S/C10H10BrNO/c1-12-5-7-4-8(11)2-3-9(7)10(12)6-13/h2-4,6,10H,5H2,1H3
InChIKeyQNJRWARTDNMQPN-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.13
Rot. Bonds1

About 5-bromo-2-methyl-1,3-dihydroisoindole-1-carbaldehyde

5-bromo-2-methyl-1,3-dihydroisoindole-1-carbaldehyde (PubChem CID 174652351) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is 5-bromo-2-methyl-1,3-dihydroisoindole-1-carbaldehyde.

Molecular Properties

Compound Name5-bromo-2-methyl-1,3-dihydroisoindole-1-carbaldehyde
PubChem CID174652351
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name5-bromo-2-methyl-1,3-dihydroisoindole-1-carbaldehyde
SMILESCN1Cc2cc(Br)ccc2C1C=O
InChIInChI=1S/C10H10BrNO/c1-12-5-7-4-8(11)2-3-9(7)10(12)6-13/h2-4,6,10H,5H2,1H3
InChIKeyQNJRWARTDNMQPN-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

5-Bromo-2-isopropylisoindolin-1-one
CID 11708634
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
[[2-(6-bromo-3-oxo-1H-isoindol-2-yl)-5-oxopentanoyl]-methylamino] thiohypofluorite
CID 153392000
6-Bromo-2-[1-(2,5-difluorophenyl)-4-tri(propan-2-yl)silylbut-3-ynyl]-4-fluoro-1,3-dihydroisoindole-1-carbaldehyde
CID 174050557
6-Bromo-2-[1-(2,5-difluorophenyl)-4-trimethylsilylbut-3-ynyl]-4-fluoro-1,3-dihydroisoindole-1-carbaldehyde
CID 174050821
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
2-(6-bromo-3-oxo-1H-isoindol-2-yl)acetaldehyde
CID 57612942

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-1,3-dihydroisoindole-1-carbaldehyde?
The IUPAC name of 5-bromo-2-methyl-1,3-dihydroisoindole-1-carbaldehyde (CID 174652351) is 5-bromo-2-methyl-1,3-dihydroisoindole-1-carbaldehyde.
What is the SMILES notation for 5-bromo-2-methyl-1,3-dihydroisoindole-1-carbaldehyde?
The canonical SMILES for 5-bromo-2-methyl-1,3-dihydroisoindole-1-carbaldehyde is CN1Cc2cc(Br)ccc2C1C=O.
What is the InChIKey of 5-bromo-2-methyl-1,3-dihydroisoindole-1-carbaldehyde?
The InChIKey is QNJRWARTDNMQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO/c1-12-5-7-4-8(11)2-3-9(7)10(12)6-13/h2-4,6,10H,5H2,1H3.
What are the key properties of 5-bromo-2-methyl-1,3-dihydroisoindole-1-carbaldehyde?
5-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 5-bromo-2-methyl-1,3-dihydroisoindole-1-carbaldehyde is sourced from PubChem (CID 174652351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).