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873651-92-4 molecular structure
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(5-aminopyridin-2-yl)methanol

ChemBase ID: 810655
Molecular Formular: C6H8N2O
Molecular Mass: 124.14052
Monoisotopic Mass: 124.06366289
SMILES and InChIs

SMILES:
C(O)c1ncc(cc1)N
Canonical SMILES:
OCc1ccc(cn1)N
InChI:
InChI=1S/C6H8N2O/c7-5-1-2-6(4-9)8-3-5/h1-3,9H,4,7H2
InChIKey:
FLSFZTQIYGDVFB-UHFFFAOYSA-N

Cite this record

CBID:810655 http://www.chembase.cn/molecule-810655.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(5-aminopyridin-2-yl)methanol
IUPAC Traditional name
(5-aminopyridin-2-yl)methanol
Synonyms
(5-AMINOPYRIDIN-2-YL)METHANOL
CAS Number
873651-92-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O29377 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O29377 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.363687  H Acceptors
H Donor LogD (pH = 5.5) -0.9764235 
LogD (pH = 7.4) -0.76284856  Log P -0.75923043 
Molar Refractivity 34.8952 cm3 Polarizability 13.030452 Å3
Polar Surface Area 59.14 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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