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5-Bromo-2-[(5-chloropyridin-3-yl)oxy]pyridine

HCID 64601014
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Basic information

CAS
900493-24-5
Standard SMILES
Clc1cncc(Oc2ccc(Br)cn2)c1
InChIKey
YHRUUZVQPXVHJW-UHFFFAOYSA-N
Molecular formula
C10H6BrClN2O
Average molar mass
285.52 g/mol
Monoisotopic mass
283.9352

Names & identifiers

Preferred name
5-Bromo-2-[(5-chloropyridin-3-yl)oxy]pyridine
IUPAC
3-[(5-bromo-2-pyridinyl)oxy]-5-chloropyridine
English name
3-bromo-6-(5-chloropyridin-3-yloxy)pyridine
Molecular formula
C10H6BrClN2O
Molecular weight
285.52

Names & synonyms

900493-24-55-Bromo-2-[(5-chloropyridin-3-yl)oxy]pyridine3-(5-bromopyridin-2-yl)oxy-5-chloropyridinePyridine, 5-bromo-2-[(5-chloro-3-pyridinyl)oxy]-DTXSID20734794AKOS0139270403-bromo-6-(5-chloropyridin-3-yloxy)pyridine5-Bromo-2-[(5-chloro-3-pyridinyl)oxy]-pyridine

Database identifiers

CAS
900493-24-5
PubChem CID
64601014
DTXSID
DTXSID20734794
Nikkaji
J2.329.228I

Properties

Computed structural properties

XLogP
3
Topological polar surface area
35 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
15
Formal charge
0
Complexity
208

Physicochemical properties

Melting point
80 °C · 80 °C
Boiling point
353.7 · 353.7±42.0 °C(Predicted)
Density
1.635 · 1.635±0.06 g/cm3(Predicted)
pka
1.36 · 1.36±0.10(Predicted)

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