2-(3-chlorophenyl)-4,6-difluoro-1H-indole-3-carbaldehyde

C15H8ClF2NO — CID 87406062

IUPAC2-(3-chlorophenyl)-4,6-difluoro-1H-indole-3-carbaldehyde
SMILESO=Cc1c(-c2cccc(Cl)c2)[nH]c2cc(F)cc(F)c12
InChIInChI=1S/C15H8ClF2NO/c16-9-3-1-2-8(4-9)15-11(7-20)14-12(18)5-10(17)6-13(14)19-15/h1-7,19H
InChIKeyVCTCDUTVIHBLNR-UHFFFAOYSA-N
MW291.68 g/mol
LogP4.58
Rot. Bonds2

About 2-(3-chlorophenyl)-4,6-difluoro-1H-indole-3-carbaldehyde

2-(3-chlorophenyl)-4,6-difluoro-1H-indole-3-carbaldehyde (PubChem CID 87406062) has the molecular formula C15H8ClF2NO and a molecular weight of 291.68 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4,6-difluoro-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4,6-difluoro-1H-indole-3-carbaldehyde
PubChem CID87406062
Molecular FormulaC15H8ClF2NO
Molecular Weight291.68 g/mol
Exact Mass291.03
IUPAC Name2-(3-chlorophenyl)-4,6-difluoro-1H-indole-3-carbaldehyde
SMILESO=Cc1c(-c2cccc(Cl)c2)[nH]c2cc(F)cc(F)c12
InChIInChI=1S/C15H8ClF2NO/c16-9-3-1-2-8(4-9)15-11(7-20)14-12(18)5-10(17)6-13(14)19-15/h1-7,19H
InChIKeyVCTCDUTVIHBLNR-UHFFFAOYSA-N
XLogP4.58
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.68
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4,6-difluoro-1H-indole-3-carbaldehyde?
The IUPAC name of 2-(3-chlorophenyl)-4,6-difluoro-1H-indole-3-carbaldehyde (CID 87406062) is 2-(3-chlorophenyl)-4,6-difluoro-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-(3-chlorophenyl)-4,6-difluoro-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-(3-chlorophenyl)-4,6-difluoro-1H-indole-3-carbaldehyde is O=Cc1c(-c2cccc(Cl)c2)[nH]c2cc(F)cc(F)c12.
What is the InChIKey of 2-(3-chlorophenyl)-4,6-difluoro-1H-indole-3-carbaldehyde?
The InChIKey is VCTCDUTVIHBLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF2NO/c16-9-3-1-2-8(4-9)15-11(7-20)14-12(18)5-10(17)6-13(14)19-15/h1-7,19H.
What are the key properties of 2-(3-chlorophenyl)-4,6-difluoro-1H-indole-3-carbaldehyde?
2-(3-chlorophenyl)-4,6-difluoro-1H-indole-3-carbaldehyde has a molecular weight of 291.68 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4,6-difluoro-1H-indole-3-carbaldehyde is sourced from PubChem (CID 87406062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).