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102074-19-1 molecular structure
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(5-methylpyridin-3-yl)methanol

ChemBase ID: 806451
Molecular Formular: C7H9NO
Molecular Mass: 123.15246
Monoisotopic Mass: 123.06841391
SMILES and InChIs

SMILES:
C(O)c1cncc(c1)C
Canonical SMILES:
Cc1cc(CO)cnc1
InChI:
InChI=1S/C7H9NO/c1-6-2-7(5-9)4-8-3-6/h2-4,9H,5H2,1H3
InChIKey:
MRQAYFYTWNIVFN-UHFFFAOYSA-N

Cite this record

CBID:806451 http://www.chembase.cn/molecule-806451.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(5-methylpyridin-3-yl)methanol
IUPAC Traditional name
(5-methylpyridin-3-yl)methanol
Synonyms
(5-METHYLPYRIDIN-3-YL)METHANOL
CAS Number
102074-19-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O24107 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O24107 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.736861  H Acceptors
H Donor LogD (pH = 5.5) 0.33768305 
LogD (pH = 7.4) 0.4990069  Log P 0.501645 
Molar Refractivity 35.7582 cm3 Polarizability 13.646436 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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