4,6-dichloro-3-phenyldiazenyl-2H-isoindol-1-ol

C14H9Cl2N3O — CID 3485127

IUPAC4,6-dichloro-3-phenyldiazenyl-2H-isoindol-1-ol
SMILESOc1[nH]c(/N=N/c2ccccc2)c2c(Cl)cc(Cl)cc12
InChIInChI=1S/C14H9Cl2N3O/c15-8-6-10-12(11(16)7-8)13(17-14(10)20)19-18-9-4-2-1-3-5-9/h1-7,17,20H/b19-18+
InChIKeySATYWENCWXNHLQ-VHEBQXMUSA-N
MW306.15 g/mol
LogP5.60
Rot. Bonds2

About 4,6-dichloro-3-phenyldiazenyl-2H-isoindol-1-ol

4,6-dichloro-3-phenyldiazenyl-2H-isoindol-1-ol (PubChem CID 3485127) has the molecular formula C14H9Cl2N3O and a molecular weight of 306.15 g/mol. Its IUPAC name is 4,6-dichloro-3-phenyldiazenyl-2H-isoindol-1-ol.

Molecular Properties

Compound Name4,6-dichloro-3-phenyldiazenyl-2H-isoindol-1-ol
PubChem CID3485127
Molecular FormulaC14H9Cl2N3O
Molecular Weight306.15 g/mol
Exact Mass305.01
IUPAC Name4,6-dichloro-3-phenyldiazenyl-2H-isoindol-1-ol
SMILESOc1[nH]c(/N=N/c2ccccc2)c2c(Cl)cc(Cl)cc12
InChIInChI=1S/C14H9Cl2N3O/c15-8-6-10-12(11(16)7-8)13(17-14(10)20)19-18-9-4-2-1-3-5-9/h1-7,17,20H/b19-18+
InChIKeySATYWENCWXNHLQ-VHEBQXMUSA-N
XLogP5.60
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.15
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-3-phenyldiazenyl-2H-isoindol-1-ol?
The IUPAC name of 4,6-dichloro-3-phenyldiazenyl-2H-isoindol-1-ol (CID 3485127) is 4,6-dichloro-3-phenyldiazenyl-2H-isoindol-1-ol.
What is the SMILES notation for 4,6-dichloro-3-phenyldiazenyl-2H-isoindol-1-ol?
The canonical SMILES for 4,6-dichloro-3-phenyldiazenyl-2H-isoindol-1-ol is Oc1[nH]c(/N=N/c2ccccc2)c2c(Cl)cc(Cl)cc12.
What is the InChIKey of 4,6-dichloro-3-phenyldiazenyl-2H-isoindol-1-ol?
The InChIKey is SATYWENCWXNHLQ-VHEBQXMUSA-N. The full InChI is InChI=1S/C14H9Cl2N3O/c15-8-6-10-12(11(16)7-8)13(17-14(10)20)19-18-9-4-2-1-3-5-9/h1-7,17,20H/b19-18+.
What are the key properties of 4,6-dichloro-3-phenyldiazenyl-2H-isoindol-1-ol?
4,6-dichloro-3-phenyldiazenyl-2H-isoindol-1-ol has a molecular weight of 306.15 g/mol, XLogP of 5.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-3-phenyldiazenyl-2H-isoindol-1-ol is sourced from PubChem (CID 3485127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).