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1196157-19-3 molecular structure
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5-chloro-2-methylpyridin-4-ol

ChemBase ID: 814083
Molecular Formular: C6H6ClNO
Molecular Mass: 143.57094
Monoisotopic Mass: 143.0137915
SMILES and InChIs

SMILES:
n1c(cc(c(c1)Cl)O)C
Canonical SMILES:
Cc1ncc(c(c1)O)Cl
InChI:
InChI=1S/C6H6ClNO/c1-4-2-6(9)5(7)3-8-4/h2-3H,1H3,(H,8,9)
InChIKey:
RPMOIHNGISPYRG-UHFFFAOYSA-N

Cite this record

CBID:814083 http://www.chembase.cn/molecule-814083.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-chloro-2-methylpyridin-4-ol
IUPAC Traditional name
5-chloro-2-methylpyridin-4-ol
Synonyms
5-chloro-2-methylpyridin-4-ol
CAS Number
1196157-19-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36220 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36220 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Molar Refractivity 35.2783 cm3 Polarizability 13.731235 Å3
Polar Surface Area 33.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true  Acid pKa 8.770227 
H Acceptors H Donor
LogD (pH = 5.5) 1.1869915  LogD (pH = 7.4) 1.1696514 
Log P 1.1874229 

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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