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5-Hydroxy-4-Methylpicolinonitrile

CAT: 0127-OR1011884-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1011884-01Size:100 mg
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CAS Number
1256792-51-4
MDL Number
MFCD27945564
Purity
97%
Smiles
Cc1cc(ncc1O)C#N

Chemical Information

5-Hydroxy-4-methyl-pyridine-2-carbonitrile
CAS Number1256792-51-4
PubChem CID126812814
IUPAC Name5-hydroxy-4-methylpyridine-2-carbonitrile
Molecular FormulaC7H6N2O
Molecular Weight134.14
XLogP0.9
Topological Polar Surface Area56.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity160
SMILES
CC1=CC(=NC=C1O)C#N
InChI
InChI=1S/C7H6N2O/c1-5-2-6(3-8)9-4-7(5)10/h2,4,10H,1H3
InChIKey
XGFLGLPWVNDWNZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Hydroxy-4-methyl-pyridine-2-carbonitrile
CAS: 1256792-51-4
CID: 126812814
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 Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass134.048012819
Monoisotopic Mass134.048012819
Topological Polar Surface Area56.9 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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