1-(3-chlorophenyl)-3-methanimidoylindol-2-ol

C15H11ClN2O — CID 135923456

IUPAC1-(3-chlorophenyl)-3-methanimidoylindol-2-ol
SMILES[H]/N=C/c1c(O)n(-c2cccc(Cl)c2)c2ccccc12
InChIInChI=1S/C15H11ClN2O/c16-10-4-3-5-11(8-10)18-14-7-2-1-6-12(14)13(9-17)15(18)19/h1-9,17,19H/b17-9+
InChIKeyGFCIRCPKSSUESK-RQZCQDPDSA-N
MW270.72 g/mol
LogP3.99
Rot. Bonds2

About 1-(3-chlorophenyl)-3-methanimidoylindol-2-ol

1-(3-chlorophenyl)-3-methanimidoylindol-2-ol (PubChem CID 135923456) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-methanimidoylindol-2-ol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-methanimidoylindol-2-ol
PubChem CID135923456
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name1-(3-chlorophenyl)-3-methanimidoylindol-2-ol
SMILES[H]/N=C/c1c(O)n(-c2cccc(Cl)c2)c2ccccc12
InChIInChI=1S/C15H11ClN2O/c16-10-4-3-5-11(8-10)18-14-7-2-1-6-12(14)13(9-17)15(18)19/h1-9,17,19H/b17-9+
InChIKeyGFCIRCPKSSUESK-RQZCQDPDSA-N
XLogP3.99
TPSA49.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-methanimidoylindol-2-ol?
The IUPAC name of 1-(3-chlorophenyl)-3-methanimidoylindol-2-ol (CID 135923456) is 1-(3-chlorophenyl)-3-methanimidoylindol-2-ol.
What is the SMILES notation for 1-(3-chlorophenyl)-3-methanimidoylindol-2-ol?
The canonical SMILES for 1-(3-chlorophenyl)-3-methanimidoylindol-2-ol is [H]/N=C/c1c(O)n(-c2cccc(Cl)c2)c2ccccc12.
What is the InChIKey of 1-(3-chlorophenyl)-3-methanimidoylindol-2-ol?
The InChIKey is GFCIRCPKSSUESK-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H11ClN2O/c16-10-4-3-5-11(8-10)18-14-7-2-1-6-12(14)13(9-17)15(18)19/h1-9,17,19H/b17-9+.
What are the key properties of 1-(3-chlorophenyl)-3-methanimidoylindol-2-ol?
1-(3-chlorophenyl)-3-methanimidoylindol-2-ol has a molecular weight of 270.72 g/mol, XLogP of 3.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-methanimidoylindol-2-ol is sourced from PubChem (CID 135923456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).