2-Bromo-3-(but-3-en-1-yloxy)pyridine

HCID 22018563CAS 405174-45-0
Substructure searchFind similar structures

Basic information

Standard SMILES
C=CCCOc1cccnc1Br
InChIKey
VHZNUNBUHLLDHH-UHFFFAOYSA-N
Molecular formula
C9H10BrNO
Average molar mass
228.09 g/mol
Monoisotopic mass
226.99457604

Names & identifiers

Preferred name
2-Bromo-3-(but-3-en-1-yloxy)pyridine
IUPAC
2-bromo-3-but-3-enoxypyridine
English name
2-Bromo-3-(but-3-enyloxy)pyridine
Molecular formula
C9H10BrNO
Molecular weight
228.09

Names & synonyms

405174-45-02-Bromo-3-(but-3-en-1-yloxy)pyridine2-BROMO-3-(BUT-3-ENYLOXY)PYRIDINE2-bromo-3-but-3-enoxypyridine2-Bromo-3-but-3-enyloxy-pyridineSCHEMBL4072898SCHEMBL299608742-bromo-3-but-3-enoxy-pyridineDTXSID106215682-Bromo-3-but-3-enyloxypyridineVHZNUNBUHLLDHH-UHFFFAOYSA-NCS-B1106
Show more names
2-broMo-3-(3-buten-1-yloxy)-2-Bromo-3-(3-buten-1-yloxy)pyridinePyridine, 2-bromo-3-(3-buten-1-yloxy)-
MFCD11035878AKOS014313725DA-425102-Bromo-3-[(but-3-en-1-yl)oxy]pyridineD77251A1-04823

Database identifiers

CAS
405174-45-0
PubChem CID
22018563
DTXSID
DTXSID10621568

Properties

Computed structural properties

XLogP
3
Topological polar surface area
22.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
12

Physicochemical properties

Boiling point
289.1 · 289.1±30.0 °C(Predicted)
Density
1.362 · 1.362±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
-0.56 · -0.56±0.10(Predicted)

Chemistry & industry

Upstream & downstream products

Suppliers6 total

Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
河北药成医药科技有限责任公司19903117580 19903117510 · [email protected]

Related reactions

8 records
New reaction record

Linked notes

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