3-[(6-chloro-2-pyridinyl)diazenyl]-1H-indol-2-ol

C13H9ClN4O — CID 135659249

IUPAC3-[(6-chloro-2-pyridinyl)diazenyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1/N=N/c1cccc(Cl)n1
InChIInChI=1S/C13H9ClN4O/c14-10-6-3-7-11(16-10)17-18-12-8-4-1-2-5-9(8)15-13(12)19/h1-7,15,19H/b18-17+
InChIKeyKKDQNOZEKXIMCH-ISLYRVAYSA-N
MW272.70 g/mol
LogP4.34
Rot. Bonds2

About 3-[(6-chloro-2-pyridinyl)diazenyl]-1H-indol-2-ol

3-[(6-chloro-2-pyridinyl)diazenyl]-1H-indol-2-ol (PubChem CID 135659249) has the molecular formula C13H9ClN4O and a molecular weight of 272.70 g/mol. Its IUPAC name is 3-[(6-chloro-2-pyridinyl)diazenyl]-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(6-chloro-2-pyridinyl)diazenyl]-1H-indol-2-ol
PubChem CID135659249
Molecular FormulaC13H9ClN4O
Molecular Weight272.70 g/mol
Exact Mass272.05
IUPAC Name3-[(6-chloro-2-pyridinyl)diazenyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1/N=N/c1cccc(Cl)n1
InChIInChI=1S/C13H9ClN4O/c14-10-6-3-7-11(16-10)17-18-12-8-4-1-2-5-9(8)15-13(12)19/h1-7,15,19H/b18-17+
InChIKeyKKDQNOZEKXIMCH-ISLYRVAYSA-N
XLogP4.34
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.70
LogP ≤ 54.34
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-[(3,5,6-trichloro-2-pyridinyl)diazenyl]-1H-indol-2-ol
CID 3629318
3-[(4-fluorophenyl)diazenyl]-1H-indol-2-ol
CID 5159433
3-(quinolin-8-yldiazenyl)-1H-indol-2-ol
CID 4241264
3-(pyridin-3-yldiazenyl)-1H-indol-2-ol
CID 136860029
3-[(5-chloro-2-methylphenyl)diazenyl]-1H-indol-2-ol
CID 136860025
3-[(4-tert-butylphenyl)diazenyl]-1H-indol-2-ol
CID 3565046
(2-hydroxy-1H-indol-3-yl)iminothiourea
CID 690109
3-[(2-hydroxy-1H-indol-3-yl)diazenyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135455472
5-chloro-3-[(6-chloropyridazin-3-yl)diazenyl]-1H-indol-2-ol
CID 135983033
2-[(2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid
CID 3784946
3-(3,4-dihydro-2H-pyrrol-1-ium-5-yldiazenyl)-1H-indol-2-ol
CID 135852417
4-(4-chlorophenyl)-2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-6-oxo-1H-pyrimidine-5-carbonitrile
CID 165415908

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-2-pyridinyl)diazenyl]-1H-indol-2-ol?
The IUPAC name of 3-[(6-chloro-2-pyridinyl)diazenyl]-1H-indol-2-ol (CID 135659249) is 3-[(6-chloro-2-pyridinyl)diazenyl]-1H-indol-2-ol.
What is the SMILES notation for 3-[(6-chloro-2-pyridinyl)diazenyl]-1H-indol-2-ol?
The canonical SMILES for 3-[(6-chloro-2-pyridinyl)diazenyl]-1H-indol-2-ol is Oc1[nH]c2ccccc2c1/N=N/c1cccc(Cl)n1.
What is the InChIKey of 3-[(6-chloro-2-pyridinyl)diazenyl]-1H-indol-2-ol?
The InChIKey is KKDQNOZEKXIMCH-ISLYRVAYSA-N. The full InChI is InChI=1S/C13H9ClN4O/c14-10-6-3-7-11(16-10)17-18-12-8-4-1-2-5-9(8)15-13(12)19/h1-7,15,19H/b18-17+.
What are the key properties of 3-[(6-chloro-2-pyridinyl)diazenyl]-1H-indol-2-ol?
3-[(6-chloro-2-pyridinyl)diazenyl]-1H-indol-2-ol has a molecular weight of 272.70 g/mol, XLogP of 4.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-2-pyridinyl)diazenyl]-1H-indol-2-ol is sourced from PubChem (CID 135659249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).