3-chloro-1-methylindole-2-carbaldehyde

C10H8ClNO — CID 7996521

IUPAC3-chloro-1-methylindole-2-carbaldehyde
SMILESCn1c(C=O)c(Cl)c2ccccc21
InChIInChI=1S/C10H8ClNO/c1-12-8-5-3-2-4-7(8)10(11)9(12)6-13/h2-6H,1H3
InChIKeyWGXUSIVWAUMPNX-UHFFFAOYSA-N
MW193.63 g/mol
LogP2.64
Rot. Bonds1

About 3-chloro-1-methylindole-2-carbaldehyde

3-chloro-1-methylindole-2-carbaldehyde (PubChem CID 7996521) has the molecular formula C10H8ClNO and a molecular weight of 193.63 g/mol. Its IUPAC name is 3-chloro-1-methylindole-2-carbaldehyde.

Molecular Properties

Compound Name3-chloro-1-methylindole-2-carbaldehyde
PubChem CID7996521
Molecular FormulaC10H8ClNO
Molecular Weight193.63 g/mol
Exact Mass193.03
IUPAC Name3-chloro-1-methylindole-2-carbaldehyde
SMILESCn1c(C=O)c(Cl)c2ccccc21
InChIInChI=1S/C10H8ClNO/c1-12-8-5-3-2-4-7(8)10(11)9(12)6-13/h2-6H,1H3
InChIKeyWGXUSIVWAUMPNX-UHFFFAOYSA-N
XLogP2.64
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 52.64
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 3-chloro-1-methylindole-2-carbaldehyde?
The IUPAC name of 3-chloro-1-methylindole-2-carbaldehyde (CID 7996521) is 3-chloro-1-methylindole-2-carbaldehyde.
What is the SMILES notation for 3-chloro-1-methylindole-2-carbaldehyde?
The canonical SMILES for 3-chloro-1-methylindole-2-carbaldehyde is Cn1c(C=O)c(Cl)c2ccccc21.
What is the InChIKey of 3-chloro-1-methylindole-2-carbaldehyde?
The InChIKey is WGXUSIVWAUMPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO/c1-12-8-5-3-2-4-7(8)10(11)9(12)6-13/h2-6H,1H3.
What are the key properties of 3-chloro-1-methylindole-2-carbaldehyde?
3-chloro-1-methylindole-2-carbaldehyde has a molecular weight of 193.63 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-methylindole-2-carbaldehyde is sourced from PubChem (CID 7996521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).