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22282-99-1 molecular structure
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4-bromo-2-methylpyridine hydrochloride

ChemBase ID: 812757
Molecular Formular: C6H7BrClN
Molecular Mass: 208.48348
Monoisotopic Mass: 206.94503891
SMILES and InChIs

SMILES:
Cl.n1c(cc(cc1)Br)C
Canonical SMILES:
Brc1ccnc(c1)C.Cl
InChI:
InChI=1S/C6H6BrN.ClH/c1-5-4-6(7)2-3-8-5;/h2-4H,1H3;1H
InChIKey:
KSDPKTQFQCXYNU-UHFFFAOYSA-N

Cite this record

CBID:812757 http://www.chembase.cn/molecule-812757.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-bromo-2-methylpyridine hydrochloride
IUPAC Traditional name
4-bromo-2-methylpyridine hydrochloride
Synonyms
4-BROMO-2-METHYL-PYRIDINE HYDROCHLORIDE
CAS Number
22282-99-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O33424 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O33424 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.5891659  LogD (pH = 7.4) 1.6547866 
Log P 1.6556962  Molar Refractivity 36.1154 cm3
Polarizability 14.015969 Å3 Polar Surface Area 12.89 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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