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680859-99-8 molecular structure
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1,2-dimethyl-1H-pyrrolo[3,2-c]pyridine

ChemBase ID: 292534
Molecular Formular: C9H10N2
Molecular Mass: 146.1891
Monoisotopic Mass: 146.08439833
SMILES and InChIs

SMILES:
Cn1c(C)cc2cnccc12
Canonical SMILES:
Cn1c(C)cc2c1ccnc2
InChI:
InChI=1S/C9H10N2/c1-7-5-8-6-10-4-3-9(8)11(7)2/h3-6H,1-2H3
InChIKey:
JNZZRIPJDDRDAF-UHFFFAOYSA-N

Cite this record

CBID:292534 http://www.chembase.cn/molecule-292534.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2-dimethyl-1H-pyrrolo[3,2-c]pyridine
IUPAC Traditional name
1,2-dimethylpyrrolo[3,2-c]pyridine
Synonyms
1,2-Dimethyl-1H-pyrrolo[3,2-c]pyridine
CAS Number
680859-99-8
PubChem SID
180678065
PubChem CID
20817285

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD241378 Please log in.
Data Source Data ID
PubChem 20817285 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.29876384  LogD (pH = 7.4) 0.6047237 
Log P 1.2775728  Molar Refractivity 45.034 cm3
Polarizability 18.226324 Å3 Polar Surface Area 17.82 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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