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3-Bromo-1,5-naphthyridine

CAT: 1266-JH181555Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1266-JH181555Size:1 Each
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CAS Number
17965-71-8
HS Code
2933990099
Stability
Stable. Combustible. Incompatible with strong oxidizing agents.
Molecular Formula
C8H5BrN2
Molecular Weight
209.04
Product Name Synonym
3-bromo-1,5-naphthyridine
Physical Properties
Pink or Brown Solid
Safety Statements
S26; S36/37/39
Density
1.656
Flash Point
129oC
Melting Point
138 - 139 °C

Chemical Information

3-Bromo-1,5-naphthyridine
CAS Number17965-71-8
PubChem CID12878818
IUPAC Name3-bromo-1,5-naphthyridine
Molecular FormulaC8H5BrN2
Molecular Weight209.04
XLogP1.9
Topological Polar Surface Area25.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity140
SMILES
C1=CC2=C(C=C(C=N2)Br)N=C1
InChI
InChI=1S/C8H5BrN2/c9-6-4-8-7(11-5-6)2-1-3-10-8/h1-5H
InChIKey
DQTDPFYKQAQVJU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Bromo-1,5-naphthyridine
CAS: 17965-71-8
CID: 12878818
Formula: C8H5BrN2
MW: 209.04
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight209.04
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass207.96361
Monoisotopic Mass207.96361
Topological Polar Surface Area25.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity140
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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GTR19254365-013-Bromo-1,5-naphthyridine
SAA96576-015-bromo-1,7-naphthyridine
TCA33681-015-Bromo-1,6-naphthyridine
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XDA26763-013-Bromo-8-methoxy-1,5-naphthyridine
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