5-bromo-2,3-dihydro-1H-indole-7-carbaldehyde

C9H8BrNO — CID 82391549

IUPAC5-bromo-2,3-dihydro-1H-indole-7-carbaldehyde
SMILESO=Cc1cc(Br)cc2c1NCC2
InChIInChI=1S/C9H8BrNO/c10-8-3-6-1-2-11-9(6)7(4-8)5-12/h3-5,11H,1-2H2
InChIKeyXNNCDWLLVWPJTJ-UHFFFAOYSA-N
MW226.07 g/mol
LogP2.23
Rot. Bonds1

About 5-bromo-2,3-dihydro-1H-indole-7-carbaldehyde

5-bromo-2,3-dihydro-1H-indole-7-carbaldehyde (PubChem CID 82391549) has the molecular formula C9H8BrNO and a molecular weight of 226.07 g/mol. Its IUPAC name is 5-bromo-2,3-dihydro-1H-indole-7-carbaldehyde.

Molecular Properties

Compound Name5-bromo-2,3-dihydro-1H-indole-7-carbaldehyde
PubChem CID82391549
Molecular FormulaC9H8BrNO
Molecular Weight226.07 g/mol
Exact Mass224.98
IUPAC Name5-bromo-2,3-dihydro-1H-indole-7-carbaldehyde
SMILESO=Cc1cc(Br)cc2c1NCC2
InChIInChI=1S/C9H8BrNO/c10-8-3-6-1-2-11-9(6)7(4-8)5-12/h3-5,11H,1-2H2
InChIKeyXNNCDWLLVWPJTJ-UHFFFAOYSA-N
XLogP2.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.07
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-bromo-2,3-dihydro-1H-indol-7-yl)methyl formate
CID 174607633
5-bromo-2,3-dihydro-1H-indol-7-ol;5-bromo-7-methoxy-2,3-dihydro-1H-indole;tribromoborane
CID 161446088
6-bromo-8-fluoro-1,2,3,4-tetrahydroquinoline
CID 16791217
N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-methylpropanamide
CID 112537467
6-bromo-3,4-dihydro-2H-1,4-benzoxazine-8-carbaldehyde
CID 130050805
N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)cyclopropanecarboxamide
CID 112537471
7-bromo-5-methyl-2,3-dihydro-1H-indole
CID 16789330
1-(7-bromo-2,3-dihydro-1H-indol-5-yl)ethanone
CID 84701796
N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-pyridin-2-ylacetamide
CID 112537380
6-bromo-8-propyl-1,2,3,4-tetrahydroquinoline
CID 142307156
(7-bromo-2,3-dihydro-1H-indol-5-yl) methanesulfonate
CID 14522156
N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-(4-methylphenyl)acetamide
CID 112537434

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,3-dihydro-1H-indole-7-carbaldehyde?
The IUPAC name of 5-bromo-2,3-dihydro-1H-indole-7-carbaldehyde (CID 82391549) is 5-bromo-2,3-dihydro-1H-indole-7-carbaldehyde.
What is the SMILES notation for 5-bromo-2,3-dihydro-1H-indole-7-carbaldehyde?
The canonical SMILES for 5-bromo-2,3-dihydro-1H-indole-7-carbaldehyde is O=Cc1cc(Br)cc2c1NCC2.
What is the InChIKey of 5-bromo-2,3-dihydro-1H-indole-7-carbaldehyde?
The InChIKey is XNNCDWLLVWPJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO/c10-8-3-6-1-2-11-9(6)7(4-8)5-12/h3-5,11H,1-2H2.
What are the key properties of 5-bromo-2,3-dihydro-1H-indole-7-carbaldehyde?
5-bromo-2,3-dihydro-1H-indole-7-carbaldehyde has a molecular weight of 226.07 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,3-dihydro-1H-indole-7-carbaldehyde is sourced from PubChem (CID 82391549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).