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6-Bromo-5-fluoropicolinamide

CAT: 0127-PC109858-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-PC109858-01Size:1 g
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CAS Number
1416712-39-4
MDL Number
MFCD22684692
Purity
95%
Smiles
NC(=O)c1ccc(F)c(Br)n1

Chemical Information

6-Bromo-5-fluoropicolinamide
CAS Number1416712-39-4
PubChem CID91659058
IUPAC Name6-bromo-5-fluoropyridine-2-carboxamide
Molecular FormulaC6H4BrFN2O
Molecular Weight219.01
XLogP1.2
Topological Polar Surface Area56
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity167
SMILES
C1=CC(=NC(=C1F)Br)C(=O)N
InChI
InChI=1S/C6H4BrFN2O/c7-5-3(8)1-2-4(10-5)6(9)11/h1-2H,(H2,9,11)
InChIKey
PGECOQRMDVLEPF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Bromo-5-fluoropicolinamide
CAS: 1416712-39-4
CID: 91659058
Formula: C6H4BrFN2O
MW: 219.01
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight219.01
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass217.94910
Monoisotopic Mass217.94910
Topological Polar Surface Area56 Ų
Heavy Atom Count11
Formal Charge0
Complexity167
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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