4-chloro-1-ethylindole-3-carbaldehyde

C11H10ClNO — CID 117119713

IUPAC4-chloro-1-ethylindole-3-carbaldehyde
SMILESCCn1cc(C=O)c2c(Cl)cccc21
InChIInChI=1S/C11H10ClNO/c1-2-13-6-8(7-14)11-9(12)4-3-5-10(11)13/h3-7H,2H2,1H3
InChIKeyPYKMZCYEUHXXBP-UHFFFAOYSA-N
MW207.66 g/mol
LogP3.13
Rot. Bonds2

About 4-chloro-1-ethylindole-3-carbaldehyde

4-chloro-1-ethylindole-3-carbaldehyde (PubChem CID 117119713) has the molecular formula C11H10ClNO and a molecular weight of 207.66 g/mol. Its IUPAC name is 4-chloro-1-ethylindole-3-carbaldehyde.

Molecular Properties

Compound Name4-chloro-1-ethylindole-3-carbaldehyde
PubChem CID117119713
Molecular FormulaC11H10ClNO
Molecular Weight207.66 g/mol
Exact Mass207.05
IUPAC Name4-chloro-1-ethylindole-3-carbaldehyde
SMILESCCn1cc(C=O)c2c(Cl)cccc21
InChIInChI=1S/C11H10ClNO/c1-2-13-6-8(7-14)11-9(12)4-3-5-10(11)13/h3-7H,2H2,1H3
InChIKeyPYKMZCYEUHXXBP-UHFFFAOYSA-N
XLogP3.13
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 53.13
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

5-chloro-1-ethylquinazolin-4-one
CID 171104503
3-(4-chloro-1-ethylindol-3-yl)propan-1-amine
CID 117119707
4-bromo-1-(2-chloroethyl)indole-3-carbaldehyde
CID 57443554
1-(2-methoxyethyl)-4-methylindole-3-carbaldehyde
CID 88940775
4-(2,3-dichlorophenoxy)-1-methylindole-3-carbaldehyde
CID 87204536
1-[(2,3-dichlorophenyl)methyl]indole-3-carbaldehyde
CID 107307208
1-ethyl-3-formylindole-5-carbonitrile
CID 53415945
2-(1-ethyl-4-methoxyindol-3-yl)acetaldehyde
CID 117195026
1-(3-chloro-2-methylphenyl)-3-methylpyrazole-4-carbaldehyde
CID 84617551
1-ethyl-5-methoxyindole-3-carbaldehyde
CID 3162229
2-(7-chloro-1-ethylindol-3-yl)acetaldehyde
CID 117197652
tert-butyl N-(3-chloro-1-ethylindol-4-yl)carbamate
CID 138549954

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethylindole-3-carbaldehyde?
The IUPAC name of 4-chloro-1-ethylindole-3-carbaldehyde (CID 117119713) is 4-chloro-1-ethylindole-3-carbaldehyde.
What is the SMILES notation for 4-chloro-1-ethylindole-3-carbaldehyde?
The canonical SMILES for 4-chloro-1-ethylindole-3-carbaldehyde is CCn1cc(C=O)c2c(Cl)cccc21.
What is the InChIKey of 4-chloro-1-ethylindole-3-carbaldehyde?
The InChIKey is PYKMZCYEUHXXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO/c1-2-13-6-8(7-14)11-9(12)4-3-5-10(11)13/h3-7H,2H2,1H3.
What are the key properties of 4-chloro-1-ethylindole-3-carbaldehyde?
4-chloro-1-ethylindole-3-carbaldehyde has a molecular weight of 207.66 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethylindole-3-carbaldehyde is sourced from PubChem (CID 117119713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).