1-(2-chlorophenyl)indole-3-carbaldehyde

C15H10ClNO — CID 87889462

IUPAC1-(2-chlorophenyl)indole-3-carbaldehyde
SMILESO=Cc1cn(-c2ccccc2Cl)c2ccccc12
InChIInChI=1S/C15H10ClNO/c16-13-6-2-4-8-15(13)17-9-11(10-18)12-5-1-3-7-14(12)17/h1-10H
InChIKeyDLZWUVVJHUWMKC-UHFFFAOYSA-N
MW255.70 g/mol
LogP4.10
Rot. Bonds2

About 1-(2-chlorophenyl)indole-3-carbaldehyde

1-(2-chlorophenyl)indole-3-carbaldehyde (PubChem CID 87889462) has the molecular formula C15H10ClNO and a molecular weight of 255.70 g/mol. Its IUPAC name is 1-(2-chlorophenyl)indole-3-carbaldehyde.

Molecular Properties

Compound Name1-(2-chlorophenyl)indole-3-carbaldehyde
PubChem CID87889462
Molecular FormulaC15H10ClNO
Molecular Weight255.70 g/mol
Exact Mass255.05
IUPAC Name1-(2-chlorophenyl)indole-3-carbaldehyde
SMILESO=Cc1cn(-c2ccccc2Cl)c2ccccc12
InChIInChI=1S/C15H10ClNO/c16-13-6-2-4-8-15(13)17-9-11(10-18)12-5-1-3-7-14(12)17/h1-10H
InChIKeyDLZWUVVJHUWMKC-UHFFFAOYSA-N
XLogP4.10
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 54.10
H-Bond Donors ≤ 50
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 1-(2-chlorophenyl)indole-3-carbaldehyde?
The IUPAC name of 1-(2-chlorophenyl)indole-3-carbaldehyde (CID 87889462) is 1-(2-chlorophenyl)indole-3-carbaldehyde.
What is the SMILES notation for 1-(2-chlorophenyl)indole-3-carbaldehyde?
The canonical SMILES for 1-(2-chlorophenyl)indole-3-carbaldehyde is O=Cc1cn(-c2ccccc2Cl)c2ccccc12.
What is the InChIKey of 1-(2-chlorophenyl)indole-3-carbaldehyde?
The InChIKey is DLZWUVVJHUWMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO/c16-13-6-2-4-8-15(13)17-9-11(10-18)12-5-1-3-7-14(12)17/h1-10H.
What are the key properties of 1-(2-chlorophenyl)indole-3-carbaldehyde?
1-(2-chlorophenyl)indole-3-carbaldehyde has a molecular weight of 255.70 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)indole-3-carbaldehyde is sourced from PubChem (CID 87889462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).