4-chloro-2-cyclopropyl-5-hydroxy-1H-indole-3-carbaldehyde

C12H10ClNO2 — CID 84699097

IUPAC4-chloro-2-cyclopropyl-5-hydroxy-1H-indole-3-carbaldehyde
SMILESO=Cc1c(C2CC2)[nH]c2ccc(O)c(Cl)c12
InChIInChI=1S/C12H10ClNO2/c13-11-9(16)4-3-8-10(11)7(5-15)12(14-8)6-1-2-6/h3-6,14,16H,1-2H2
InChIKeyKHMLWKTYSROVLW-UHFFFAOYSA-N
MW235.67 g/mol
LogP3.22
Rot. Bonds2

About 4-chloro-2-cyclopropyl-5-hydroxy-1H-indole-3-carbaldehyde

4-chloro-2-cyclopropyl-5-hydroxy-1H-indole-3-carbaldehyde (PubChem CID 84699097) has the molecular formula C12H10ClNO2 and a molecular weight of 235.67 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-5-hydroxy-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-5-hydroxy-1H-indole-3-carbaldehyde
PubChem CID84699097
Molecular FormulaC12H10ClNO2
Molecular Weight235.67 g/mol
Exact Mass235.04
IUPAC Name4-chloro-2-cyclopropyl-5-hydroxy-1H-indole-3-carbaldehyde
SMILESO=Cc1c(C2CC2)[nH]c2ccc(O)c(Cl)c12
InChIInChI=1S/C12H10ClNO2/c13-11-9(16)4-3-8-10(11)7(5-15)12(14-8)6-1-2-6/h3-6,14,16H,1-2H2
InChIKeyKHMLWKTYSROVLW-UHFFFAOYSA-N
XLogP3.22
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 53.22
H-Bond Donors ≤ 52
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 4-chloro-2-cyclopropyl-5-hydroxy-1H-indole-3-carbaldehyde?
The IUPAC name of 4-chloro-2-cyclopropyl-5-hydroxy-1H-indole-3-carbaldehyde (CID 84699097) is 4-chloro-2-cyclopropyl-5-hydroxy-1H-indole-3-carbaldehyde.
What is the SMILES notation for 4-chloro-2-cyclopropyl-5-hydroxy-1H-indole-3-carbaldehyde?
The canonical SMILES for 4-chloro-2-cyclopropyl-5-hydroxy-1H-indole-3-carbaldehyde is O=Cc1c(C2CC2)[nH]c2ccc(O)c(Cl)c12.
What is the InChIKey of 4-chloro-2-cyclopropyl-5-hydroxy-1H-indole-3-carbaldehyde?
The InChIKey is KHMLWKTYSROVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2/c13-11-9(16)4-3-8-10(11)7(5-15)12(14-8)6-1-2-6/h3-6,14,16H,1-2H2.
What are the key properties of 4-chloro-2-cyclopropyl-5-hydroxy-1H-indole-3-carbaldehyde?
4-chloro-2-cyclopropyl-5-hydroxy-1H-indole-3-carbaldehyde has a molecular weight of 235.67 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-5-hydroxy-1H-indole-3-carbaldehyde is sourced from PubChem (CID 84699097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).