2-Picoline N-oxide

CAT: 0024-sc-238204Size: 100 gDry Ice: NoHazardous: No

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CAT#:0024-sc-238204Size:100 g

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CAS Number

931-19-1

Chemical Information

2-Methylpyridine 1-oxide

Picoline N-oxide is a member of methylpyridines and a member of pyridine N-oxides.

CAS Number	931-19-1
PubChem CID	13602
IUPAC Name	2-methyl-1-oxidopyridin-1-ium
Molecular Formula	C6H7NO
Molecular Weight	109.13
XLogP	0.3
Topological Polar Surface Area	25.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	74

SMILES

CC1=CC=CC=[N+]1[O-]

InChI

InChI=1S/C6H7NO/c1-6-4-2-3-5-7(6)8/h2-5H,1H3

InChIKey

CFZKDDTWZYUZKS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 931-19-1

CID: 13602

Formula: C6H7NO

MW: 109.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	109.13
XLogP3	0.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	109.052763847
Monoisotopic Mass	109.052763847
Topological Polar Surface Area	25.5 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	74.9
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