3-[(3,5,6-trichloro-2-pyridinyl)diazenyl]-1H-indol-2-ol

C13H7Cl3N4O — CID 3629318

IUPAC3-[(3,5,6-trichloro-2-pyridinyl)diazenyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1/N=N/c1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C13H7Cl3N4O/c14-7-5-8(15)12(18-11(7)16)20-19-10-6-3-1-2-4-9(6)17-13(10)21/h1-5,17,21H/b20-19+
InChIKeyPOPHRXXMLZABPI-FMQUCBEESA-N
MW341.59 g/mol
LogP5.64
Rot. Bonds2

About 3-[(3,5,6-trichloro-2-pyridinyl)diazenyl]-1H-indol-2-ol

3-[(3,5,6-trichloro-2-pyridinyl)diazenyl]-1H-indol-2-ol (PubChem CID 3629318) has the molecular formula C13H7Cl3N4O and a molecular weight of 341.59 g/mol. Its IUPAC name is 3-[(3,5,6-trichloro-2-pyridinyl)diazenyl]-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(3,5,6-trichloro-2-pyridinyl)diazenyl]-1H-indol-2-ol
PubChem CID3629318
Molecular FormulaC13H7Cl3N4O
Molecular Weight341.59 g/mol
Exact Mass339.97
IUPAC Name3-[(3,5,6-trichloro-2-pyridinyl)diazenyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1/N=N/c1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C13H7Cl3N4O/c14-7-5-8(15)12(18-11(7)16)20-19-10-6-3-1-2-4-9(6)17-13(10)21/h1-5,17,21H/b20-19+
InChIKeyPOPHRXXMLZABPI-FMQUCBEESA-N
XLogP5.64
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.59
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

3-[(6-chloro-2-pyridinyl)diazenyl]-1H-indol-2-ol
CID 135659249
(2-hydroxy-1H-indol-3-yl)iminothiourea
CID 690109
3-[(5-chloro-2-methylphenyl)diazenyl]-1H-indol-2-ol
CID 136860025
3-([1,2,4]triazolo[3,4-a]phthalazin-6-yldiazenyl)-1H-indol-2-ol
CID 1387996
3-[(4-fluorophenyl)diazenyl]-1H-indol-2-ol
CID 5159433
3-(pyridin-3-yldiazenyl)-1H-indol-2-ol
CID 136860029
1-(6-chloro-1,3-benzothiazol-2-yl)-3-[(2-hydroxy-1H-indol-3-yl)imino]thiourea
CID 135432263
3-[(4-tert-butylphenyl)diazenyl]-1H-indol-2-ol
CID 3565046
3-(quinolin-8-yldiazenyl)-1H-indol-2-ol
CID 4241264
3-[[2-(3,4-dimethoxyphenyl)quinazolin-4-yl]diazenyl]-1H-indol-2-ol
CID 137290352
1,3-bis[(2-hydroxy-1H-indol-3-yl)imino]thiourea;oxolane
CID 139083842
3-[(2-hydroxy-1H-indol-3-yl)diazenyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135455472

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5,6-trichloro-2-pyridinyl)diazenyl]-1H-indol-2-ol?
The IUPAC name of 3-[(3,5,6-trichloro-2-pyridinyl)diazenyl]-1H-indol-2-ol (CID 3629318) is 3-[(3,5,6-trichloro-2-pyridinyl)diazenyl]-1H-indol-2-ol.
What is the SMILES notation for 3-[(3,5,6-trichloro-2-pyridinyl)diazenyl]-1H-indol-2-ol?
The canonical SMILES for 3-[(3,5,6-trichloro-2-pyridinyl)diazenyl]-1H-indol-2-ol is Oc1[nH]c2ccccc2c1/N=N/c1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 3-[(3,5,6-trichloro-2-pyridinyl)diazenyl]-1H-indol-2-ol?
The InChIKey is POPHRXXMLZABPI-FMQUCBEESA-N. The full InChI is InChI=1S/C13H7Cl3N4O/c14-7-5-8(15)12(18-11(7)16)20-19-10-6-3-1-2-4-9(6)17-13(10)21/h1-5,17,21H/b20-19+.
What are the key properties of 3-[(3,5,6-trichloro-2-pyridinyl)diazenyl]-1H-indol-2-ol?
3-[(3,5,6-trichloro-2-pyridinyl)diazenyl]-1H-indol-2-ol has a molecular weight of 341.59 g/mol, XLogP of 5.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5,6-trichloro-2-pyridinyl)diazenyl]-1H-indol-2-ol is sourced from PubChem (CID 3629318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).