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63071-09-0 molecular structure
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(3-methylpyridin-2-yl)methanol

ChemBase ID: 813209
Molecular Formular: C7H9NO
Molecular Mass: 123.15246
Monoisotopic Mass: 123.06841391
SMILES and InChIs

SMILES:
n1c(c(ccc1)C)CO
Canonical SMILES:
OCc1ncccc1C
InChI:
InChI=1S/C7H9NO/c1-6-3-2-4-8-7(6)5-9/h2-4,9H,5H2,1H3
InChIKey:
ACDAPUOXXWLLSC-UHFFFAOYSA-N

Cite this record

CBID:813209 http://www.chembase.cn/molecule-813209.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3-methylpyridin-2-yl)methanol
IUPAC Traditional name
(3-methylpyridin-2-yl)methanol
Synonyms
2-HYDROXYMETHYL-3-METHYLPYRIDINE
CAS Number
63071-09-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O34271 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O34271 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.23873  H Acceptors
H Donor LogD (pH = 5.5) 0.40339866 
LogD (pH = 7.4) 0.58027065  Log P 0.5831169 
Molar Refractivity 35.236 cm3 Polarizability 13.647839 Å3
Polar Surface Area 33.12 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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