5-chloro-2-ethyl-1-methylindole-3-carbaldehyde

C12H12ClNO — CID 84687258

IUPAC5-chloro-2-ethyl-1-methylindole-3-carbaldehyde
SMILESCCc1c(C=O)c2cc(Cl)ccc2n1C
InChIInChI=1S/C12H12ClNO/c1-3-11-10(7-15)9-6-8(13)4-5-12(9)14(11)2/h4-7H,3H2,1-2H3
InChIKeyZANWLHXZYGBEIA-UHFFFAOYSA-N
MW221.69 g/mol
LogP3.21
Rot. Bonds2

About 5-chloro-2-ethyl-1-methylindole-3-carbaldehyde

5-chloro-2-ethyl-1-methylindole-3-carbaldehyde (PubChem CID 84687258) has the molecular formula C12H12ClNO and a molecular weight of 221.69 g/mol. Its IUPAC name is 5-chloro-2-ethyl-1-methylindole-3-carbaldehyde.

Molecular Properties

Compound Name5-chloro-2-ethyl-1-methylindole-3-carbaldehyde
PubChem CID84687258
Molecular FormulaC12H12ClNO
Molecular Weight221.69 g/mol
Exact Mass221.06
IUPAC Name5-chloro-2-ethyl-1-methylindole-3-carbaldehyde
SMILESCCc1c(C=O)c2cc(Cl)ccc2n1C
InChIInChI=1S/C12H12ClNO/c1-3-11-10(7-15)9-6-8(13)4-5-12(9)14(11)2/h4-7H,3H2,1-2H3
InChIKeyZANWLHXZYGBEIA-UHFFFAOYSA-N
XLogP3.21
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 53.21
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

2-chloro-5-ethoxy-1-methylindole-3-carbaldehyde
CID 82268916
6-bromo-2-ethyl-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 118262322
1-(5-chloro-1,3-dimethylindol-2-yl)-N-methylmethanamine
CID 83868331
7-chloro-2-ethyl-4-methylthieno[2,3-b]indole
CID 23210581
1-butyl-2,6-dichloroindole-3-carbaldehyde
CID 82269726
methyl 5-chloro-2-(chloromethyl)-1-methylindole-3-carboxylate
CID 58771143
7-chloro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde
CID 84628273
2-(5-chloro-1,3-dimethylindol-2-yl)-N-methylethanamine
CID 84628695
(5-chloro-3-cyclopropyl-1-methylindol-2-yl)methanamine
CID 83918924
6-chloro-1-methyl-3-(2-oxopropyl)quinazoline-2,4-dione
CID 117262456
2-chloro-1-ethyl-5-propan-2-ylindole-3-carbaldehyde
CID 82268593
5-iodo-1,2-dimethylindole-3-carbaldehyde
CID 97035776

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethyl-1-methylindole-3-carbaldehyde?
The IUPAC name of 5-chloro-2-ethyl-1-methylindole-3-carbaldehyde (CID 84687258) is 5-chloro-2-ethyl-1-methylindole-3-carbaldehyde.
What is the SMILES notation for 5-chloro-2-ethyl-1-methylindole-3-carbaldehyde?
The canonical SMILES for 5-chloro-2-ethyl-1-methylindole-3-carbaldehyde is CCc1c(C=O)c2cc(Cl)ccc2n1C.
What is the InChIKey of 5-chloro-2-ethyl-1-methylindole-3-carbaldehyde?
The InChIKey is ZANWLHXZYGBEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO/c1-3-11-10(7-15)9-6-8(13)4-5-12(9)14(11)2/h4-7H,3H2,1-2H3.
What are the key properties of 5-chloro-2-ethyl-1-methylindole-3-carbaldehyde?
5-chloro-2-ethyl-1-methylindole-3-carbaldehyde has a molecular weight of 221.69 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethyl-1-methylindole-3-carbaldehyde is sourced from PubChem (CID 84687258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).