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6811-77-4 molecular structure
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1H-imidazo[4,5-c]pyridin-4-amine

ChemBase ID: 288227
Molecular Formular: C6H6N4
Molecular Mass: 134.13864
Monoisotopic Mass: 134.05924621
SMILES and InChIs

SMILES:
Nc1nccc2c1nc[nH]2
Canonical SMILES:
Nc1nccc2c1nc[nH]2
InChI:
InChI=1S/C6H6N4/c7-6-5-4(1-2-8-6)9-3-10-5/h1-3H,(H2,7,8)(H,9,10)
InChIKey:
UHUHBFMZVCOEOV-UHFFFAOYSA-N

Cite this record

CBID:288227 http://www.chembase.cn/molecule-288227.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1H-imidazo[4,5-c]pyridin-4-amine
IUPAC Traditional name
1H-imidazo[4,5-c]pyridin-4-amine
Synonyms
1H-Imidazo[4,5-c]pyridin-4-amine
CAS Number
6811-77-4
MDL Number
MFCD15143403
PubChem SID
180673758
PubChem CID
418745

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD170923 Please log in.
Data Source Data ID
PubChem 418745 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
LogD (pH = 5.5) -0.22617403  LogD (pH = 7.4) -0.19371721 
Log P -0.19263685  Molar Refractivity 37.8255 cm3
Polarizability 14.8968725 Å3 Polar Surface Area 67.59 Å2
Rotatable Bonds Lipinski's Rule of Five true 
Acid pKa 10.186236  H Acceptors
H Donor

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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