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1346686-69-8 molecular structure
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[5-(4-methylpyridin-2-yl)pyridin-3-yl]methanol

ChemBase ID: 797011
Molecular Formular: C12H12N2O
Molecular Mass: 200.23648
Monoisotopic Mass: 200.09496301
SMILES and InChIs

SMILES:
C(O)c1cc(c2nccc(c2)C)cnc1
Canonical SMILES:
OCc1cncc(c1)c1nccc(c1)C
InChI:
InChI=1S/C12H12N2O/c1-9-2-3-14-12(4-9)11-5-10(8-15)6-13-7-11/h2-7,15H,8H2,1H3
InChIKey:
ICSOJTFCUBWEBW-UHFFFAOYSA-N

Cite this record

CBID:797011 http://www.chembase.cn/molecule-797011.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[5-(4-methylpyridin-2-yl)pyridin-3-yl]methanol
IUPAC Traditional name
[5-(4-methylpyridin-2-yl)pyridin-3-yl]methanol
Synonyms
(4-Methyl-[2,3'-bipyridin]-5'-yl)Methanol
CAS Number
1346686-69-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O5332 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O5332 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.5923395  H Acceptors
H Donor LogD (pH = 5.5) 1.2384425 
LogD (pH = 7.4) 1.3159622  Log P 1.3170483 
Molar Refractivity 58.3655 cm3 Polarizability 23.734552 Å3
Polar Surface Area 46.01 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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