2-(3-bromo-1-methylindol-6-yl)acetaldehyde

C11H10BrNO — CID 83900513

IUPAC2-(3-bromo-1-methylindol-6-yl)acetaldehyde
SMILESCn1cc(Br)c2ccc(CC=O)cc21
InChIInChI=1S/C11H10BrNO/c1-13-7-10(12)9-3-2-8(4-5-14)6-11(9)13/h2-3,5-7H,4H2,1H3
InChIKeyIWFUCZZMNWZNAZ-UHFFFAOYSA-N
MW252.11 g/mol
LogP2.68
Rot. Bonds2

About 2-(3-bromo-1-methylindol-6-yl)acetaldehyde

2-(3-bromo-1-methylindol-6-yl)acetaldehyde (PubChem CID 83900513) has the molecular formula C11H10BrNO and a molecular weight of 252.11 g/mol. Its IUPAC name is 2-(3-bromo-1-methylindol-6-yl)acetaldehyde.

Molecular Properties

Compound Name2-(3-bromo-1-methylindol-6-yl)acetaldehyde
PubChem CID83900513
Molecular FormulaC11H10BrNO
Molecular Weight252.11 g/mol
Exact Mass250.99
IUPAC Name2-(3-bromo-1-methylindol-6-yl)acetaldehyde
SMILESCn1cc(Br)c2ccc(CC=O)cc21
InChIInChI=1S/C11H10BrNO/c1-13-7-10(12)9-3-2-8(4-5-14)6-11(9)13/h2-3,5-7H,4H2,1H3
InChIKeyIWFUCZZMNWZNAZ-UHFFFAOYSA-N
XLogP2.68
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 52.68
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 2-(3-bromo-1-methylindol-6-yl)acetaldehyde?
The IUPAC name of 2-(3-bromo-1-methylindol-6-yl)acetaldehyde (CID 83900513) is 2-(3-bromo-1-methylindol-6-yl)acetaldehyde.
What is the SMILES notation for 2-(3-bromo-1-methylindol-6-yl)acetaldehyde?
The canonical SMILES for 2-(3-bromo-1-methylindol-6-yl)acetaldehyde is Cn1cc(Br)c2ccc(CC=O)cc21.
What is the InChIKey of 2-(3-bromo-1-methylindol-6-yl)acetaldehyde?
The InChIKey is IWFUCZZMNWZNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO/c1-13-7-10(12)9-3-2-8(4-5-14)6-11(9)13/h2-3,5-7H,4H2,1H3.
What are the key properties of 2-(3-bromo-1-methylindol-6-yl)acetaldehyde?
2-(3-bromo-1-methylindol-6-yl)acetaldehyde has a molecular weight of 252.11 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-1-methylindol-6-yl)acetaldehyde is sourced from PubChem (CID 83900513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).