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1196157-30-8 molecular structure
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5-chloro-6-methoxypyridin-3-ol

ChemBase ID: 814443
Molecular Formular: C6H6ClNO2
Molecular Mass: 159.57034
Monoisotopic Mass: 159.00870612
SMILES and InChIs

SMILES:
n1cc(cc(c1OC)Cl)O
Canonical SMILES:
COc1ncc(cc1Cl)O
InChI:
InChI=1S/C6H6ClNO2/c1-10-6-5(7)2-4(9)3-8-6/h2-3,9H,1H3
InChIKey:
CXSPUXIQVANWJK-UHFFFAOYSA-N

Cite this record

CBID:814443 http://www.chembase.cn/molecule-814443.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-chloro-6-methoxypyridin-3-ol
IUPAC Traditional name
5-chloro-6-methoxypyridin-3-ol
Synonyms
5-chloro-6-methoxypyridin-3-ol
CAS Number
1196157-30-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36609 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36609 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.563701  H Acceptors
H Donor LogD (pH = 5.5) 1.4924498 
LogD (pH = 7.4) 1.4645579  Log P 1.492839 
Molar Refractivity 37.4635 cm3 Polarizability 14.548942 Å3
Polar Surface Area 42.35 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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