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54232-03-0 molecular structure
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6-chloro-5-methylpyridin-3-ol

ChemBase ID: 289175
Molecular Formular: C6H6ClNO
Molecular Mass: 143.57094
Monoisotopic Mass: 143.0137915
SMILES and InChIs

SMILES:
Oc1cc(C)c(Cl)nc1
Canonical SMILES:
Oc1cnc(c(c1)C)Cl
InChI:
InChI=1S/C6H6ClNO/c1-4-2-5(9)3-8-6(4)7/h2-3,9H,1H3
InChIKey:
UGDSWVXJJFIVAH-UHFFFAOYSA-N

Cite this record

CBID:289175 http://www.chembase.cn/molecule-289175.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-chloro-5-methylpyridin-3-ol
IUPAC Traditional name
6-chloro-5-methylpyridin-3-ol
Synonyms
6-Chloro-5-methylpyridin-3-ol
CAS Number
54232-03-0
PubChem SID
180674706
PubChem CID
12852015

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD217011 Please log in.
Data Source Data ID
PubChem 12852015 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.423906  H Acceptors
H Donor LogD (pH = 5.5) 1.7890913 
LogD (pH = 7.4) 1.7511293  Log P 1.7896513 
Molar Refractivity 36.7893 cm3 Polarizability 13.757726 Å3
Polar Surface Area 33.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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