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1227599-35-0 molecular structure
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(6-bromo-2-chloropyridin-3-yl)methanol

ChemBase ID: 292671
Molecular Formular: C6H5BrClNO
Molecular Mass: 222.467
Monoisotopic Mass: 220.92430347
SMILES and InChIs

SMILES:
OCc1ccc(Br)nc1Cl
Canonical SMILES:
OCc1ccc(nc1Cl)Br
InChI:
InChI=1S/C6H5BrClNO/c7-5-2-1-4(3-10)6(8)9-5/h1-2,10H,3H2
InChIKey:
GTAIWEUPYUVFOX-UHFFFAOYSA-N

Cite this record

CBID:292671 http://www.chembase.cn/molecule-292671.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(6-bromo-2-chloropyridin-3-yl)methanol
IUPAC Traditional name
(6-bromo-2-chloropyridin-3-yl)methanol
Synonyms
(6-Bromo-2-chloropyridin-3-yl)methanol
CAS Number
1227599-35-0
PubChem SID
180678202
PubChem CID
70701001

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD241530 Please log in.
Data Source Data ID
PubChem 70701001 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.369489  H Acceptors
H Donor LogD (pH = 5.5) 1.7867202 
LogD (pH = 7.4) 1.78672  Log P 1.7867202 
Molar Refractivity 45.0481 cm3 Polarizability 16.897526 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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