β-Nicotyrine

CAT: 0024-sc-212391Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-212391Size:10 mg

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CAS Number

487-19-4

Chemical Information

Nicotyrine

Nicotyrine is a member of pyridines.

CAS Number	487-19-4
PubChem CID	10249
IUPAC Name	3-(1-methylpyrrol-2-yl)pyridine
Molecular Formula	C10H10N2
Molecular Weight	158.20
XLogP	1.3
Topological Polar Surface Area	17.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	147

SMILES

CN1C=CC=C1C2=CN=CC=C2

InChI

InChI=1S/C10H10N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2-8H,1H3

InChIKey

RYFOJXFXERAMLS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 487-19-4

CID: 10249

Formula: C10H10N2

MW: 158.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	158.20
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	158.084398327
Monoisotopic Mass	158.084398327
Topological Polar Surface Area	17.8 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	147
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes