5-bromo-7-methyl-1H-indole-3-carbaldehyde

C10H8BrNO — CID 21102199

IUPAC5-bromo-7-methyl-1H-indole-3-carbaldehyde
SMILESCc1cc(Br)cc2c(C=O)c[nH]c12
InChIInChI=1S/C10H8BrNO/c1-6-2-8(11)3-9-7(5-13)4-12-10(6)9/h2-5,12H,1H3
InChIKeyPWVROEJTQXCJAF-UHFFFAOYSA-N
MW238.08 g/mol
LogP3.05
Rot. Bonds1

About 5-bromo-7-methyl-1H-indole-3-carbaldehyde

5-bromo-7-methyl-1H-indole-3-carbaldehyde (PubChem CID 21102199) has the molecular formula C10H8BrNO and a molecular weight of 238.08 g/mol. Its IUPAC name is 5-bromo-7-methyl-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name5-bromo-7-methyl-1H-indole-3-carbaldehyde
PubChem CID21102199
Molecular FormulaC10H8BrNO
Molecular Weight238.08 g/mol
Exact Mass236.98
IUPAC Name5-bromo-7-methyl-1H-indole-3-carbaldehyde
SMILESCc1cc(Br)cc2c(C=O)c[nH]c12
InChIInChI=1S/C10H8BrNO/c1-6-2-8(11)3-9-7(5-13)4-12-10(6)9/h2-5,12H,1H3
InChIKeyPWVROEJTQXCJAF-UHFFFAOYSA-N
XLogP3.05
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.08
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-methyl-1H-indole-3-carbaldehyde?
The IUPAC name of 5-bromo-7-methyl-1H-indole-3-carbaldehyde (CID 21102199) is 5-bromo-7-methyl-1H-indole-3-carbaldehyde.
What is the SMILES notation for 5-bromo-7-methyl-1H-indole-3-carbaldehyde?
The canonical SMILES for 5-bromo-7-methyl-1H-indole-3-carbaldehyde is Cc1cc(Br)cc2c(C=O)c[nH]c12.
What is the InChIKey of 5-bromo-7-methyl-1H-indole-3-carbaldehyde?
The InChIKey is PWVROEJTQXCJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO/c1-6-2-8(11)3-9-7(5-13)4-12-10(6)9/h2-5,12H,1H3.
What are the key properties of 5-bromo-7-methyl-1H-indole-3-carbaldehyde?
5-bromo-7-methyl-1H-indole-3-carbaldehyde has a molecular weight of 238.08 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-methyl-1H-indole-3-carbaldehyde is sourced from PubChem (CID 21102199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).