3-[[(Z)-pyrido[3,4-b]indol-3-ylidenemethyl]diazenyl]-1H-indol-2-ol

C20H13N5O — CID 168873416

IUPAC3-[[(Z)-pyrido[3,4-b]indol-3-ylidenemethyl]diazenyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1/N=N/C=c1/cc2c(cn1)=Nc1ccccc1-2
InChIInChI=1S/C20H13N5O/c26-20-19(14-6-2-4-8-17(14)24-20)25-22-10-12-9-15-13-5-1-3-7-16(13)23-18(15)11-21-12/h1-11,24,26H/b12-10-,25-22+
InChIKeyYOWDKWMIOVJXTN-DDSRJGQSSA-N
MW339.36 g/mol
LogP3.72
Rot. Bonds2

About 3-[[(Z)-pyrido[3,4-b]indol-3-ylidenemethyl]diazenyl]-1H-indol-2-ol

3-[[(Z)-pyrido[3,4-b]indol-3-ylidenemethyl]diazenyl]-1H-indol-2-ol (PubChem CID 168873416) has the molecular formula C20H13N5O and a molecular weight of 339.36 g/mol. Its IUPAC name is 3-[[(Z)-pyrido[3,4-b]indol-3-ylidenemethyl]diazenyl]-1H-indol-2-ol.

Molecular Properties

Compound Name3-[[(Z)-pyrido[3,4-b]indol-3-ylidenemethyl]diazenyl]-1H-indol-2-ol
PubChem CID168873416
Molecular FormulaC20H13N5O
Molecular Weight339.36 g/mol
Exact Mass339.11
IUPAC Name3-[[(Z)-pyrido[3,4-b]indol-3-ylidenemethyl]diazenyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1/N=N/C=c1/cc2c(cn1)=Nc1ccccc1-2
InChIInChI=1S/C20H13N5O/c26-20-19(14-6-2-4-8-17(14)24-20)25-22-10-12-9-15-13-5-1-3-7-16(13)23-18(15)11-21-12/h1-11,24,26H/b12-10-,25-22+
InChIKeyYOWDKWMIOVJXTN-DDSRJGQSSA-N
XLogP3.72
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[[(2-hydroxy-1H-indol-3-yl)diazenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 4226240
cobalt;(6Z)-6-[[(2-hydroxy-1H-indol-3-yl)diazenyl]methylidene]cyclohexa-2,4-dien-1-one;(6E)-6-[[(2-hydroxy-1H-indol-3-yl)diazenyl]methylidene]cyclohexa-2,4-dien-1-one
CID 135914564
2-[[(2-hydroxy-1H-indol-3-yl)diazenyl]methylidene]-5,5-dimethylcyclohexane-1,3-dione
CID 5200919
3-(pyridin-3-yldiazenyl)-1H-indol-2-ol
CID 136860029
N-[(2-hydroxy-1H-indol-3-yl)imino]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 4687747
3-[(4-fluorophenyl)diazenyl]-1H-indol-2-ol
CID 5159433
(2-hydroxy-1H-indol-3-yl)iminothiourea
CID 690109
2-N,5-N-bis[(2-hydroxy-1H-indol-3-yl)imino]pyridine-2,5-dicarboxamide
CID 171983173
3-[(3,5,6-trichloro-2-pyridinyl)diazenyl]-1H-indol-2-ol
CID 3629318
3-(quinolin-8-yldiazenyl)-1H-indol-2-ol
CID 4241264
3-[(6-chloro-2-pyridinyl)diazenyl]-1H-indol-2-ol
CID 135659249
3-[(4-tert-butylphenyl)diazenyl]-1H-indol-2-ol
CID 3565046

Frequently Asked Questions

What is the IUPAC name of 3-[[(Z)-pyrido[3,4-b]indol-3-ylidenemethyl]diazenyl]-1H-indol-2-ol?
The IUPAC name of 3-[[(Z)-pyrido[3,4-b]indol-3-ylidenemethyl]diazenyl]-1H-indol-2-ol (CID 168873416) is 3-[[(Z)-pyrido[3,4-b]indol-3-ylidenemethyl]diazenyl]-1H-indol-2-ol.
What is the SMILES notation for 3-[[(Z)-pyrido[3,4-b]indol-3-ylidenemethyl]diazenyl]-1H-indol-2-ol?
The canonical SMILES for 3-[[(Z)-pyrido[3,4-b]indol-3-ylidenemethyl]diazenyl]-1H-indol-2-ol is Oc1[nH]c2ccccc2c1/N=N/C=c1/cc2c(cn1)=Nc1ccccc1-2.
What is the InChIKey of 3-[[(Z)-pyrido[3,4-b]indol-3-ylidenemethyl]diazenyl]-1H-indol-2-ol?
The InChIKey is YOWDKWMIOVJXTN-DDSRJGQSSA-N. The full InChI is InChI=1S/C20H13N5O/c26-20-19(14-6-2-4-8-17(14)24-20)25-22-10-12-9-15-13-5-1-3-7-16(13)23-18(15)11-21-12/h1-11,24,26H/b12-10-,25-22+.
What are the key properties of 3-[[(Z)-pyrido[3,4-b]indol-3-ylidenemethyl]diazenyl]-1H-indol-2-ol?
3-[[(Z)-pyrido[3,4-b]indol-3-ylidenemethyl]diazenyl]-1H-indol-2-ol has a molecular weight of 339.36 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(Z)-pyrido[3,4-b]indol-3-ylidenemethyl]diazenyl]-1H-indol-2-ol is sourced from PubChem (CID 168873416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).