3-diazenyl-5-methyl-1H-pyrrolo[2,3-b]pyridin-2-ol

C8H8N4O — CID 137196393

IUPAC3-diazenyl-5-methyl-1H-pyrrolo[2,3-b]pyridin-2-ol
SMILES[H]/N=N/c1c(O)[nH]c2ncc(C)cc12
InChIInChI=1S/C8H8N4O/c1-4-2-5-6(12-9)8(13)11-7(5)10-3-4/h2-3,9,13H,1H3,(H,10,11)/b12-9+
InChIKeyUKFLFDIQLHXFSM-FMIVXFBMSA-N
MW176.18 g/mol
LogP2.24
Rot. Bonds1

About 3-diazenyl-5-methyl-1H-pyrrolo[2,3-b]pyridin-2-ol

3-diazenyl-5-methyl-1H-pyrrolo[2,3-b]pyridin-2-ol (PubChem CID 137196393) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 3-diazenyl-5-methyl-1H-pyrrolo[2,3-b]pyridin-2-ol.

Molecular Properties

Compound Name3-diazenyl-5-methyl-1H-pyrrolo[2,3-b]pyridin-2-ol
PubChem CID137196393
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name3-diazenyl-5-methyl-1H-pyrrolo[2,3-b]pyridin-2-ol
SMILES[H]/N=N/c1c(O)[nH]c2ncc(C)cc12
InChIInChI=1S/C8H8N4O/c1-4-2-5-6(12-9)8(13)11-7(5)10-3-4/h2-3,9,13H,1H3,(H,10,11)/b12-9+
InChIKeyUKFLFDIQLHXFSM-FMIVXFBMSA-N
XLogP2.24
TPSA85.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

3-diazenyl-5-fluoro-1H-indol-2-ol
CID 135508209
3-diazenyl-5-pyridin-4-yl-1H-indol-2-ol
CID 135689349
3-methyl-9H-pyrido[2,3-b]indole
CID 12596583
2-fluoro-5-methyl-1H-pyrrolo[2,3-b]pyridine
CID 143863729
(E)-3-(3,8-dimethyl-9H-pyrido[2,3-b]indol-6-yl)prop-2-enoic acid
CID 68851045
ethane;2-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboximidamide
CID 144934720
8-ethyl-3-methyl-9H-pyrido[2,3-b]indole
CID 143620519
4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-ol
CID 22273619
3,5-dimethylpyridine-2-carboximidamide
CID 112703746
5-methyl-3-nitroso-1H-indol-2-ol
CID 583072
3-methyl-7-phenyl-6,7,8,9-tetrahydropyrido[2,3-b]indol-5-one
CID 58028137
N,N-dimethyl-3-[(3-methyl-9H-pyrido[2,3-b]indol-8-yl)oxy]propan-1-amine
CID 141177272

Frequently Asked Questions

What is the IUPAC name of 3-diazenyl-5-methyl-1H-pyrrolo[2,3-b]pyridin-2-ol?
The IUPAC name of 3-diazenyl-5-methyl-1H-pyrrolo[2,3-b]pyridin-2-ol (CID 137196393) is 3-diazenyl-5-methyl-1H-pyrrolo[2,3-b]pyridin-2-ol.
What is the SMILES notation for 3-diazenyl-5-methyl-1H-pyrrolo[2,3-b]pyridin-2-ol?
The canonical SMILES for 3-diazenyl-5-methyl-1H-pyrrolo[2,3-b]pyridin-2-ol is [H]/N=N/c1c(O)[nH]c2ncc(C)cc12.
What is the InChIKey of 3-diazenyl-5-methyl-1H-pyrrolo[2,3-b]pyridin-2-ol?
The InChIKey is UKFLFDIQLHXFSM-FMIVXFBMSA-N. The full InChI is InChI=1S/C8H8N4O/c1-4-2-5-6(12-9)8(13)11-7(5)10-3-4/h2-3,9,13H,1H3,(H,10,11)/b12-9+.
What are the key properties of 3-diazenyl-5-methyl-1H-pyrrolo[2,3-b]pyridin-2-ol?
3-diazenyl-5-methyl-1H-pyrrolo[2,3-b]pyridin-2-ol has a molecular weight of 176.18 g/mol, XLogP of 2.24, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diazenyl-5-methyl-1H-pyrrolo[2,3-b]pyridin-2-ol is sourced from PubChem (CID 137196393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).