2-(4-bromo-2-methylindol-1-yl)acetaldehyde

C11H10BrNO — CID 83843794

IUPAC2-(4-bromo-2-methylindol-1-yl)acetaldehyde
SMILESCc1cc2c(Br)cccc2n1CC=O
InChIInChI=1S/C11H10BrNO/c1-8-7-9-10(12)3-2-4-11(9)13(8)5-6-14/h2-4,6-7H,5H2,1H3
InChIKeyZXRYOSGVAUIQMW-UHFFFAOYSA-N
MW252.11 g/mol
LogP2.91
Rot. Bonds2

About 2-(4-bromo-2-methylindol-1-yl)acetaldehyde

2-(4-bromo-2-methylindol-1-yl)acetaldehyde (PubChem CID 83843794) has the molecular formula C11H10BrNO and a molecular weight of 252.11 g/mol. Its IUPAC name is 2-(4-bromo-2-methylindol-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(4-bromo-2-methylindol-1-yl)acetaldehyde
PubChem CID83843794
Molecular FormulaC11H10BrNO
Molecular Weight252.11 g/mol
Exact Mass250.99
IUPAC Name2-(4-bromo-2-methylindol-1-yl)acetaldehyde
SMILESCc1cc2c(Br)cccc2n1CC=O
InChIInChI=1S/C11H10BrNO/c1-8-7-9-10(12)3-2-4-11(9)13(8)5-6-14/h2-4,6-7H,5H2,1H3
InChIKeyZXRYOSGVAUIQMW-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
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

1-ethyl-2-methylindole-4-carbaldehyde
CID 117204242
2-(4-bromo-1-propan-2-ylindol-2-yl)acetaldehyde
CID 117194499
CID 174586539
CID 174586539
4-bromo-1-ethyl-2-(methylsulfonylmethyl)indole
CID 117173791
3-(3-bromo-2-methylindol-1-yl)propanal
CID 63038889
2-(4-bromo-1-ethylindol-2-yl)propan-2-ol
CID 117120397
2-(5-fluoro-2-oxoquinolin-1-yl)acetaldehyde
CID 87648765
1-bromo-9-ethylcarbazole
CID 19736997
2-(4-methoxy-2-methylindol-1-yl)acetic acid
CID 18735254
1-bromonaphthalene;formic acid
CID 174427536
5-bromonaphthalene-2-carbaldehyde
CID 2750349
5-bromo-2-cyclopropyl-3-methylisoquinolin-1-one
CID 82378708

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylindol-1-yl)acetaldehyde?
The IUPAC name of 2-(4-bromo-2-methylindol-1-yl)acetaldehyde (CID 83843794) is 2-(4-bromo-2-methylindol-1-yl)acetaldehyde.
What is the SMILES notation for 2-(4-bromo-2-methylindol-1-yl)acetaldehyde?
The canonical SMILES for 2-(4-bromo-2-methylindol-1-yl)acetaldehyde is Cc1cc2c(Br)cccc2n1CC=O.
What is the InChIKey of 2-(4-bromo-2-methylindol-1-yl)acetaldehyde?
The InChIKey is ZXRYOSGVAUIQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO/c1-8-7-9-10(12)3-2-4-11(9)13(8)5-6-14/h2-4,6-7H,5H2,1H3.
What are the key properties of 2-(4-bromo-2-methylindol-1-yl)acetaldehyde?
2-(4-bromo-2-methylindol-1-yl)acetaldehyde has a molecular weight of 252.11 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylindol-1-yl)acetaldehyde is sourced from PubChem (CID 83843794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).