2-(5-fluoro-3-methylindol-1-yl)acetaldehyde

C11H10FNO — CID 83829697

IUPAC2-(5-fluoro-3-methylindol-1-yl)acetaldehyde
SMILESCc1cn(CC=O)c2ccc(F)cc12
InChIInChI=1S/C11H10FNO/c1-8-7-13(4-5-14)11-3-2-9(12)6-10(8)11/h2-3,5-7H,4H2,1H3
InChIKeyAEPKSEWNDZCNLJ-UHFFFAOYSA-N
MW191.20 g/mol
LogP2.29
Rot. Bonds2

About 2-(5-fluoro-3-methylindol-1-yl)acetaldehyde

2-(5-fluoro-3-methylindol-1-yl)acetaldehyde (PubChem CID 83829697) has the molecular formula C11H10FNO and a molecular weight of 191.20 g/mol. Its IUPAC name is 2-(5-fluoro-3-methylindol-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5-fluoro-3-methylindol-1-yl)acetaldehyde
PubChem CID83829697
Molecular FormulaC11H10FNO
Molecular Weight191.20 g/mol
Exact Mass191.07
IUPAC Name2-(5-fluoro-3-methylindol-1-yl)acetaldehyde
SMILESCc1cn(CC=O)c2ccc(F)cc12
InChIInChI=1S/C11H10FNO/c1-8-7-13(4-5-14)11-3-2-9(12)6-10(8)11/h2-3,5-7H,4H2,1H3
InChIKeyAEPKSEWNDZCNLJ-UHFFFAOYSA-N
XLogP2.29
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(5-fluoro-3-methylindol-1-yl)acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2S)-2-azidopropyl]-5-fluoro-3-methylindole
CID 54338968
5-fluoro-1-propylindole-3-carbaldehyde
CID 25219839
2-(7-fluoro-4-methyl-2-oxoquinolin-1-yl)acetaldehyde
CID 59398124
5-chloro-1-[(2-chloro-4-fluorophenyl)methyl]-3-methylindole
CID 142538843
2-(6-fluoroindol-1-yl)acetaldehyde
CID 62025779
7-fluoro-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde
CID 115036544
6-fluoro-1,4-dimethylquinolin-2-one
CID 90037108
1-[(E)-but-2-enyl]-5-fluoroindole-3-sulfonyl chloride
CID 82915012
1-[(4-fluoro-2-methylphenyl)methyl]indole-3-carbaldehyde
CID 114346607
2-[5-[3-[4-(4,5-dimethyl-1,3-thiazol-2-yl)phenoxy]propoxy]-3-methylindol-1-yl]acetaldehyde;methanol
CID 142965251
5-chloro-1-ethyl-3-methylindole
CID 23383492
5-fluoro-3-[(5-fluoro-1,2-dimethylindol-3-yl)methyl]-1,2-dimethylindole
CID 138981272

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3-methylindol-1-yl)acetaldehyde?
The IUPAC name of 2-(5-fluoro-3-methylindol-1-yl)acetaldehyde (CID 83829697) is 2-(5-fluoro-3-methylindol-1-yl)acetaldehyde.
What is the SMILES notation for 2-(5-fluoro-3-methylindol-1-yl)acetaldehyde?
The canonical SMILES for 2-(5-fluoro-3-methylindol-1-yl)acetaldehyde is Cc1cn(CC=O)c2ccc(F)cc12.
What is the InChIKey of 2-(5-fluoro-3-methylindol-1-yl)acetaldehyde?
The InChIKey is AEPKSEWNDZCNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO/c1-8-7-13(4-5-14)11-3-2-9(12)6-10(8)11/h2-3,5-7H,4H2,1H3.
What are the key properties of 2-(5-fluoro-3-methylindol-1-yl)acetaldehyde?
2-(5-fluoro-3-methylindol-1-yl)acetaldehyde has a molecular weight of 191.20 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-3-methylindol-1-yl)acetaldehyde is sourced from PubChem (CID 83829697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).