6-bromo-1-methylindole-2-carbaldehyde

C10H8BrNO — CID 75176255

IUPAC6-bromo-1-methylindole-2-carbaldehyde
SMILESCn1c(C=O)cc2ccc(Br)cc21
InChIInChI=1S/C10H8BrNO/c1-12-9(6-13)4-7-2-3-8(11)5-10(7)12/h2-6H,1H3
InChIKeyVJGLQRJZOPPFPO-UHFFFAOYSA-N
MW238.08 g/mol
LogP2.75
Rot. Bonds1

About 6-bromo-1-methylindole-2-carbaldehyde

6-bromo-1-methylindole-2-carbaldehyde (PubChem CID 75176255) has the molecular formula C10H8BrNO and a molecular weight of 238.08 g/mol. Its IUPAC name is 6-bromo-1-methylindole-2-carbaldehyde.

Molecular Properties

Compound Name6-bromo-1-methylindole-2-carbaldehyde
PubChem CID75176255
Molecular FormulaC10H8BrNO
Molecular Weight238.08 g/mol
Exact Mass236.98
IUPAC Name6-bromo-1-methylindole-2-carbaldehyde
SMILESCn1c(C=O)cc2ccc(Br)cc21
InChIInChI=1S/C10H8BrNO/c1-12-9(6-13)4-7-2-3-8(11)5-10(7)12/h2-6H,1H3
InChIKeyVJGLQRJZOPPFPO-UHFFFAOYSA-N
XLogP2.75
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.08
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-methylindole-2-carbaldehyde?
The IUPAC name of 6-bromo-1-methylindole-2-carbaldehyde (CID 75176255) is 6-bromo-1-methylindole-2-carbaldehyde.
What is the SMILES notation for 6-bromo-1-methylindole-2-carbaldehyde?
The canonical SMILES for 6-bromo-1-methylindole-2-carbaldehyde is Cn1c(C=O)cc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-1-methylindole-2-carbaldehyde?
The InChIKey is VJGLQRJZOPPFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO/c1-12-9(6-13)4-7-2-3-8(11)5-10(7)12/h2-6H,1H3.
What are the key properties of 6-bromo-1-methylindole-2-carbaldehyde?
6-bromo-1-methylindole-2-carbaldehyde has a molecular weight of 238.08 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-methylindole-2-carbaldehyde is sourced from PubChem (CID 75176255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).