5-chloro-1-(2-hydroxyethyl)indole-3-carbaldehyde

C11H10ClNO2 — CID 83499030

IUPAC5-chloro-1-(2-hydroxyethyl)indole-3-carbaldehyde
SMILESO=Cc1cn(CCO)c2ccc(Cl)cc12
InChIInChI=1S/C11H10ClNO2/c12-9-1-2-11-10(5-9)8(7-15)6-13(11)3-4-14/h1-2,5-7,14H,3-4H2
InChIKeySHKCDJQQZCXWDP-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.10
Rot. Bonds3

About 5-chloro-1-(2-hydroxyethyl)indole-3-carbaldehyde

5-chloro-1-(2-hydroxyethyl)indole-3-carbaldehyde (PubChem CID 83499030) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is 5-chloro-1-(2-hydroxyethyl)indole-3-carbaldehyde.

Molecular Properties

Compound Name5-chloro-1-(2-hydroxyethyl)indole-3-carbaldehyde
PubChem CID83499030
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name5-chloro-1-(2-hydroxyethyl)indole-3-carbaldehyde
SMILESO=Cc1cn(CCO)c2ccc(Cl)cc12
InChIInChI=1S/C11H10ClNO2/c12-9-1-2-11-10(5-9)8(7-15)6-13(11)3-4-14/h1-2,5-7,14H,3-4H2
InChIKeySHKCDJQQZCXWDP-UHFFFAOYSA-N
XLogP2.10
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2-hydroxyethyl)indole-3-carbaldehyde?
The IUPAC name of 5-chloro-1-(2-hydroxyethyl)indole-3-carbaldehyde (CID 83499030) is 5-chloro-1-(2-hydroxyethyl)indole-3-carbaldehyde.
What is the SMILES notation for 5-chloro-1-(2-hydroxyethyl)indole-3-carbaldehyde?
The canonical SMILES for 5-chloro-1-(2-hydroxyethyl)indole-3-carbaldehyde is O=Cc1cn(CCO)c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-1-(2-hydroxyethyl)indole-3-carbaldehyde?
The InChIKey is SHKCDJQQZCXWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2/c12-9-1-2-11-10(5-9)8(7-15)6-13(11)3-4-14/h1-2,5-7,14H,3-4H2.
What are the key properties of 5-chloro-1-(2-hydroxyethyl)indole-3-carbaldehyde?
5-chloro-1-(2-hydroxyethyl)indole-3-carbaldehyde has a molecular weight of 223.66 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2-hydroxyethyl)indole-3-carbaldehyde is sourced from PubChem (CID 83499030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).