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207849-66-9 molecular structure
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1H-pyrrolo[3,2-b]pyridin-5-amine

ChemBase ID: 286832
Molecular Formular: C7H7N3
Molecular Mass: 133.15058
Monoisotopic Mass: 133.06399724
SMILES and InChIs

SMILES:
Nc1ccc2[nH]ccc2n1
Canonical SMILES:
Nc1ccc2c(n1)cc[nH]2
InChI:
InChI=1S/C7H7N3/c8-7-2-1-5-6(10-7)3-4-9-5/h1-4,9H,(H2,8,10)
InChIKey:
NOEYQOAKBMZXFX-UHFFFAOYSA-N

Cite this record

CBID:286832 http://www.chembase.cn/molecule-286832.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1H-pyrrolo[3,2-b]pyridin-5-amine
IUPAC Traditional name
1H-pyrrolo[3,2-b]pyridin-5-amine
Synonyms
1H-Pyrrolo[3,2-b]pyridin-5-amine
CAS Number
207849-66-9
PubChem SID
180672363
PubChem CID
22126239

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD102386 Please log in.
Data Source Data ID
PubChem 22126239 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.7769  H Acceptors
H Donor LogD (pH = 5.5) 0.260274 
LogD (pH = 7.4) 0.97981185  Log P 1.0057173 
Molar Refractivity 39.6295 cm3 Polarizability 15.809406 Å3
Polar Surface Area 54.7 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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