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1015609-35-4 molecular structure
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1H-pyrrolo[3,2-b]pyridin-6-ol

ChemBase ID: 23848
Molecular Formular: C7H6N2O
Molecular Mass: 134.13534
Monoisotopic Mass: 134.04801282
SMILES and InChIs

SMILES:
c1(cnc2c(c1)[nH]cc2)O
Canonical SMILES:
Oc1cnc2c(c1)[nH]cc2
InChI:
InChI=1S/C7H6N2O/c10-5-3-7-6(9-4-5)1-2-8-7/h1-4,8,10H
InChIKey:
YPBPBVINIWDVDK-UHFFFAOYSA-N

Cite this record

CBID:23848 http://www.chembase.cn/molecule-23848.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1H-pyrrolo[3,2-b]pyridin-6-ol
IUPAC Traditional name
1H-pyrrolo[3,2-b]pyridin-6-ol
Synonyms
1H-Pyrrolo[3,2-b]pyridin-6-ol
1H-Pyrrolo[3,2-b]pyridin-6-ol
CAS Number
1015609-35-4
MDL Number
MFCD09859113
PubChem SID
160987155
PubChem CID
24229264

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 24229264 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.535731  H Acceptors
H Donor LogD (pH = 5.5) 0.866602 
LogD (pH = 7.4) 0.9324991  Log P 0.9366204 
Molar Refractivity 36.5965 cm3 Polarizability 15.261027 Å3
Polar Surface Area 48.91 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
TSCA Listed
false expand Show data source
Empirical Formula (Hill Notation)
C7H6N2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE000960 external link
Other Notes
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Legal Information
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REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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