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88139-91-7 molecular structure
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(5-bromopyridin-2-yl)methanol

ChemBase ID: 15931
Molecular Formular: C6H6BrNO
Molecular Mass: 188.02194
Monoisotopic Mass: 186.96327582
SMILES and InChIs

SMILES:
c1(ccc(cn1)Br)CO
Canonical SMILES:
OCc1ccc(cn1)Br
InChI:
InChI=1S/C6H6BrNO/c7-5-1-2-6(4-9)8-3-5/h1-3,9H,4H2
InChIKey:
RUCZFWMEACWFER-UHFFFAOYSA-N

Cite this record

CBID:15931 http://www.chembase.cn/molecule-15931.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(5-bromopyridin-2-yl)methanol
IUPAC Traditional name
(5-bromopyridin-2-yl)methanol
Synonyms
5-Bromo-2-(hydroxymethyl)pyridine
5-Bromo-2-hydroxymethylpyridine
5-Bromo-2-pyridinemethanol
(5-Bromopyridin-2-yl)methanol
(5-bromopyrid-2-yl)methanol
(5-bromopyridin-2-yl)methanol
CAS Number
88139-91-7
MDL Number
MFCD04035597
PubChem SID
160979238
PubChem CID
5200169

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.18654  H Acceptors
H Donor LogD (pH = 5.5) 0.8371349 
LogD (pH = 7.4) 0.8384315  Log P 0.83844817 
Molar Refractivity 37.8176 cm3 Polarizability 14.796918 Å3
Polar Surface Area 33.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
58-62°C expand Show data source
Hydrophobicity(logP)
0.554 expand Show data source
Storage Warning
Harmful/Irritant/Light Sensitive/Store under Argon expand Show data source
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
97% expand Show data source
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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