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4-Bromo-2,6-naphthyridine

CAT: 0926-HWC91098-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-HWC91098-01Size:50 mg
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CAS Number
1782910-98-8
MDL Number
MFCD32198339
Smiles
C1=CN=CC2=C (C=NC=C21) Br
Molecular Formula
C8H5BrN2
Molecular Weight
209.04 g/mol
Controlled
No

Chemical Information

4-Bromo-2,6-naphthyridine
CAS Number1782910-98-8
PubChem CID84722813
IUPAC Name4-bromo-2,6-naphthyridine
Molecular FormulaC8H5BrN2
Molecular Weight209.04
XLogP1.7
Topological Polar Surface Area25.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity140
SMILES
C1=CN=CC2=C(C=NC=C21)Br
InChI
InChI=1S/C8H5BrN2/c9-8-5-11-3-6-1-2-10-4-7(6)8/h1-5H
InChIKey
VMGULWYDOYMXMH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Bromo-2,6-naphthyridine
CAS: 1782910-98-8
CID: 84722813
Formula: C8H5BrN2
MW: 209.04
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight209.04
XLogP31.7
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