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755697-75-7 molecular structure
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5-(hydroxymethyl)-6-methylpyridin-3-ol

ChemBase ID: 799161
Molecular Formular: C7H9NO2
Molecular Mass: 139.15186
Monoisotopic Mass: 139.06332853
SMILES and InChIs

SMILES:
n1cc(cc(c1C)CO)O
Canonical SMILES:
OCc1cc(O)cnc1C
InChI:
InChI=1S/C7H9NO2/c1-5-6(4-9)2-7(10)3-8-5/h2-3,9-10H,4H2,1H3
InChIKey:
GDWYNOCOYNASFB-UHFFFAOYSA-N

Cite this record

CBID:799161 http://www.chembase.cn/molecule-799161.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(hydroxymethyl)-6-methylpyridin-3-ol
IUPAC Traditional name
5-(hydroxymethyl)-6-methylpyridin-3-ol
Synonyms
5-(hydroxymethyl)-6-methylpyridin-3-ol
CAS Number
755697-75-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O13432 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O13432 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.011212  H Acceptors
H Donor LogD (pH = 5.5) -0.4490459 
LogD (pH = 7.4) -0.19918314  Log P -0.18397152 
Molar Refractivity 37.2894 cm3 Polarizability 14.26977 Å3
Polar Surface Area 53.35 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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