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2-fluoro-3-methylisonicotinonitrile

CAT: 0127-PC1012322-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-PC1012322-01Size:250 mg
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CAS Number
1612786-39-6
MDL Number
MFCD26521923
Purity
95%
Smiles
C1cnc (c (c1C#N) C) F

Chemical Information

2-Fluoro-3-methylisonicotinonitrile
CAS Number1612786-39-6
PubChem CID90190369
IUPAC Name2-fluoro-3-methylpyridine-4-carbonitrile
Molecular FormulaC7H5FN2
Molecular Weight136.13
XLogP1.4
Topological Polar Surface Area36.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity160
SMILES
CC1=C(C=CN=C1F)C#N
InChI
InChI=1S/C7H5FN2/c1-5-6(4-9)2-3-10-7(5)8/h2-3H,1H3
InChIKey
UOXORNUGYHYEPD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Fluoro-3-methylisonicotinonitrile
CAS: 1612786-39-6
CID: 90190369
Formula: C7H5FN2
MW: 136.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight136.13
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass136.04367633
Monoisotopic Mass136.04367633
Topological Polar Surface Area36.7 Ų
Heavy Atom Count10
Formal Charge0
Complexity160
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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