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14623-27-9 molecular structure
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2,3-dimethyl-1H-pyrrolo[3,2-c]pyridine

ChemBase ID: 292533
Molecular Formular: C9H10N2
Molecular Mass: 146.1891
Monoisotopic Mass: 146.08439833
SMILES and InChIs

SMILES:
Cc1c(C)c2c([nH]1)ccnc2
Canonical SMILES:
Cc1[nH]c2c(c1C)cncc2
InChI:
InChI=1S/C9H10N2/c1-6-7(2)11-9-3-4-10-5-8(6)9/h3-5,11H,1-2H3
InChIKey:
ZZVWNRTXIFOYHL-UHFFFAOYSA-N

Cite this record

CBID:292533 http://www.chembase.cn/molecule-292533.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3-dimethyl-1H-pyrrolo[3,2-c]pyridine
IUPAC Traditional name
2,3-dimethyl-1H-pyrrolo[3,2-c]pyridine
Synonyms
2,3-Dimethyl-1H-pyrrolo[3,2-c]pyridine
CAS Number
14623-27-9
PubChem SID
180678064
PubChem CID
60109348

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD241377 Please log in.
Data Source Data ID
PubChem 60109348 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.833229  H Acceptors
H Donor LogD (pH = 5.5) 0.59145164 
LogD (pH = 7.4) 0.9721878  Log P 1.5673181 
Molar Refractivity 45.1785 cm3 Polarizability 18.229607 Å3
Polar Surface Area 28.68 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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