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2-Methoxynicotinonitrile

CAT: 0127-OR5771-01Size: 1 gDry Ice: NoHazardous: No
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CAS Number
7254-34-4
Synonyms
3-Cyano-2-methoxypyridine, 2-Methoxypyridine-3-carbonitrile
MDL Number
MFCD07363804
Purity
98%
Smiles
COc1ncccc1C#N

Chemical Information

2-Methoxypyridine-3-carbonitrile
CAS Number7254-34-4
PubChem CID252099
IUPAC Name2-methoxypyridine-3-carbonitrile
Molecular FormulaC7H6N2O
Molecular Weight134.14
XLogP0.9
Topological Polar Surface Area45.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity149
SMILES
COC1=C(C=CC=N1)C#N
InChI
InChI=1S/C7H6N2O/c1-10-7-6(5-8)3-2-4-9-7/h2-4H,1H3
InChIKey
IHWZCGMZILLKFD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methoxypyridine-3-carbonitrile
CAS: 7254-34-4
CID: 252099
Formula: C7H6N2O
MW: 134.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight134.14
XLogP30.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass134.048012819
Monoisotopic Mass134.048012819
Topological Polar Surface Area45.9 Ų
Heavy Atom Count10
Formal Charge0
Complexity149
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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