3-Bromo-5-(prop-1-yn-1-yl)pyridine

HCID 57466596
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Basic information

CAS
917772-69-1
Standard SMILES
CC#Cc1cncc(Br)c1
InChIKey
NHJSCWUFKMMXII-UHFFFAOYSA-N
Molecular formula
C8H6BrN
Average molar mass
196.04 g/mol
Monoisotopic mass
194.96836

Names & identifiers

Preferred name
3-Bromo-5-(prop-1-yn-1-yl)pyridine
IUPAC
3-bromo-5-prop-1-ynylpyridine
English name
3-bromo-5-(prop-1-ynyl)pyridine
Molecular formula
C8H6BrN
Molecular weight
196.04

Names & synonyms

917772-69-13-Bromo-5-(prop-1-yn-1-yl)pyridineDTXSID70726720RefChem:277518DTXCID706774653-bromo-5-(prop-1-ynyl)pyridine3-bromo-5-prop-1-ynylpyridineMFCD17677177Pyridine, 3-bromo-5-(1-propyn-1-yl)-3-BroMo-5-propynylpyridineSCHEMBL931245orb1908323
Show more names
3-bromo-5-(1-propylyne)pyridine
SCHEMBL84865703-bromo-5-prop-1-ynyl-pyridineTNU06723-Bromo-5-(1-propynyl)pyridineNHJSCWUFKMMXII-UHFFFAOYSA-N3-Bromo-5-(propyn-1-yl)pyridine3-Bromo-5-(1-propyn-1-yl)pyridineAKOS016006159

Database identifiers

CAS
917772-69-1
PubChem CID
57466596
DTXSID
DTXSID70726720

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
12.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
10

Physicochemical properties

Boiling point
258 ℃ · 258℃
Density
1.52 · 1.52
Flash point
110 ℃ · 110℃
storage temp.
2 · 2-8°C
pka
1.62 · 1.62±0.21(Predicted)

Chemistry & industry

Upstream & downstream products

Suppliers45 total

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Henan Rane Chemical Co., Ltd.+86-18738066252 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
浙江雅辰药物科技股份有限公司13674959855 13674959855 · [email protected]

Related reactions

14 records
New reaction record

Compound notes

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