7-chloro-2-methoxy-1H-indole-3-carbaldehyde

C10H8ClNO2 — CID 82394981

IUPAC7-chloro-2-methoxy-1H-indole-3-carbaldehyde
SMILESCOc1[nH]c2c(Cl)cccc2c1C=O
InChIInChI=1S/C10H8ClNO2/c1-14-10-7(5-13)6-3-2-4-8(11)9(6)12-10/h2-5,12H,1H3
InChIKeySOXFKEVFPVXXAL-UHFFFAOYSA-N
MW209.63 g/mol
LogP2.64
Rot. Bonds2

About 7-chloro-2-methoxy-1H-indole-3-carbaldehyde

7-chloro-2-methoxy-1H-indole-3-carbaldehyde (PubChem CID 82394981) has the molecular formula C10H8ClNO2 and a molecular weight of 209.63 g/mol. Its IUPAC name is 7-chloro-2-methoxy-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name7-chloro-2-methoxy-1H-indole-3-carbaldehyde
PubChem CID82394981
Molecular FormulaC10H8ClNO2
Molecular Weight209.63 g/mol
Exact Mass209.02
IUPAC Name7-chloro-2-methoxy-1H-indole-3-carbaldehyde
SMILESCOc1[nH]c2c(Cl)cccc2c1C=O
InChIInChI=1S/C10H8ClNO2/c1-14-10-7(5-13)6-3-2-4-8(11)9(6)12-10/h2-5,12H,1H3
InChIKeySOXFKEVFPVXXAL-UHFFFAOYSA-N
XLogP2.64
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.63
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-chloro-2-methoxy-1H-indole-3-carbaldehyde 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

2-tert-butyl-7-chloro-1H-indole-3-carbaldehyde
CID 3796978
7-chloro-2-cyclopropyl-1H-indole-3-carbaldehyde
CID 123353144
7-chloro-2-(2-ethylphenyl)-1H-indole-3-carbaldehyde
CID 123197725
7-chloro-2-(2,5-dichlorothiophen-3-yl)-1H-indole-3-carbaldehyde
CID 3823757
2,6-dichlorobenzaldehyde;ethane
CID 90823593
2-chloro-7-(trifluoromethyl)-1H-indole-3-carbaldehyde
CID 3715017
3-chloro-2,6-dimethoxybenzaldehyde
CID 15414486
8-chloro-4-methoxyquinazoline-2-carbaldehyde
CID 84788775
7-chloro-3-methoxy-1H-indole
CID 119084271
2,4-dichloro-1H-indole-3-carbaldehyde
CID 75365474
7-bromo-2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde
CID 5225215
1-(2,7-dichloro-1H-indol-3-yl)ethanone
CID 82269325

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-methoxy-1H-indole-3-carbaldehyde?
The IUPAC name of 7-chloro-2-methoxy-1H-indole-3-carbaldehyde (CID 82394981) is 7-chloro-2-methoxy-1H-indole-3-carbaldehyde.
What is the SMILES notation for 7-chloro-2-methoxy-1H-indole-3-carbaldehyde?
The canonical SMILES for 7-chloro-2-methoxy-1H-indole-3-carbaldehyde is COc1[nH]c2c(Cl)cccc2c1C=O.
What is the InChIKey of 7-chloro-2-methoxy-1H-indole-3-carbaldehyde?
The InChIKey is SOXFKEVFPVXXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2/c1-14-10-7(5-13)6-3-2-4-8(11)9(6)12-10/h2-5,12H,1H3.
What are the key properties of 7-chloro-2-methoxy-1H-indole-3-carbaldehyde?
7-chloro-2-methoxy-1H-indole-3-carbaldehyde has a molecular weight of 209.63 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-methoxy-1H-indole-3-carbaldehyde is sourced from PubChem (CID 82394981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).