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5-Fluoropyrimidine-2-carboxamide

CAT: 0127-PC1003508-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-PC1003508-01Size:100 mg
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CAS Number
1378675-45-6
MDL Number
MFCD18205715
Purity
95%
Smiles
O=C(N)C1N=CC(F)=CN=1

Chemical Information

5-Fluoropyrimidine-2-carboxamide
CAS Number1378675-45-6
PubChem CID129916819
IUPAC Name5-fluoropyrimidine-2-carboxamide
Molecular FormulaC5H4FN3O
Molecular Weight141.10
XLogP-0.5
Topological Polar Surface Area68.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity133
SMILES
C1=C(C=NC(=N1)C(=O)N)F
InChI
InChI=1S/C5H4FN3O/c6-3-1-8-5(4(7)10)9-2-3/h1-2H,(H2,7,10)
InChIKey
GVGFPOMHJUJCDS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Fluoropyrimidine-2-carboxamide
CAS: 1378675-45-6
CID: 129916819
Formula: C5H4FN3O
MW: 141.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight141.10
XLogP3-0.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass141.03383992
Monoisotopic Mass141.03383992
Topological Polar Surface Area68.9 Ų
Heavy Atom Count10
Formal Charge0
Complexity133
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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