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beta-Nornicotyrine

CAT: 0572-TRC-N825000-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N825000-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
494-98-4
Synonyms
Pyridine, 3-(1H-pyrrol-2-yl)-; Pyridine, 3-pyrrol-2-yl- (6CI,7CI,8CI); Nornicotyrine; β-Nornicotyrine; 3-(1H-Pyrrol-2-yl)pyridine (Beta-Nornicotyrine); Beta-Nornicotyrine; beta-Nornicotyrine
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
c1cncc(c1)c2ccc[nH]2
Molecular Formula
C9H8N2
Molecular Weight
144.1732
InChI
InChI=1S/C9H8N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1-7,11H
Additionnal Information
IUPAC name: 3-(1H-pyrrol-2-yl)pyridine
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Nornicotyrine
CAS Number494-98-4
PubChem CID68125
IUPAC Name3-(1H-pyrrol-2-yl)pyridine
Molecular FormulaC9H8N2
Molecular Weight144.17
XLogP1.3
Topological Polar Surface Area28.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity125
SMILES
C1=CC(=CN=C1)C2=CC=CN2
InChI
InChI=1S/C9H8N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1-7,11H
InChIKey
CBTWKRLUNDZXIF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nornicotyrine
CAS: 494-98-4
CID: 68125
Formula: C9H8N2
MW: 144.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight144.17
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass144.068748264
Monoisotopic Mass144.068748264
Topological Polar Surface Area28.7 Ų
Heavy Atom Count11
Formal Charge0
Complexity125
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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