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86604-74-2 molecular structure
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2-(chloromethyl)-4-methoxy-3-methylpyridine hydrochloride

ChemBase ID: 294257
Molecular Formular: C8H11Cl2NO
Molecular Mass: 208.08504
Monoisotopic Mass: 207.02176934
SMILES and InChIs

SMILES:
Cc1c(OC)ccnc1CCl.Cl
Canonical SMILES:
COc1ccnc(c1C)CCl.Cl
InChI:
InChI=1S/C8H10ClNO.ClH/c1-6-7(5-9)10-4-3-8(6)11-2;/h3-4H,5H2,1-2H3;1H
InChIKey:
WHAGSNVVBXOIGQ-UHFFFAOYSA-N

Cite this record

CBID:294257 http://www.chembase.cn/molecule-294257.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(chloromethyl)-4-methoxy-3-methylpyridine hydrochloride
IUPAC Traditional name
2-(chloromethyl)-4-methoxy-3-methylpyridine hydrochloride
Synonyms
2-(Chloromethyl)-4-methoxy-3-methylpyridine hydrochloride
CAS Number
86604-74-2
MDL Number
MFCD03425333
PubChem SID
180679788
PubChem CID
11513982

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD73659 Please log in.
Data Source Data ID
PubChem 11513982 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.1690555  LogD (pH = 7.4) 1.761465 
Log P 1.7800375  Molar Refractivity 44.7502 cm3
Polarizability 17.383757 Å3 Polar Surface Area 22.12 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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