3-Cyano-2-methylpyridine

CAT: 0127-OR345035-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR345035-01Size:250 mg

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CAS Number

1721-23-9

MDL Number

MFCD06254420

Purity

97%

Smiles

Cc1ncccc1C#N

Chemical Information

2-Methylpyridine-3-carbonitrile

CAS Number	1721-23-9
PubChem CID	4738308
IUPAC Name	2-methylpyridine-3-carbonitrile
Molecular Formula	C7H6N2
Molecular Weight	118.14
XLogP	1
Topological Polar Surface Area	36.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	133

SMILES

CC1=C(C=CC=N1)C#N

InChI

InChI=1S/C7H6N2/c1-6-7(5-8)3-2-4-9-6/h2-4H,1H3

InChIKey

UBKKNWJGYLSDSJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1721-23-9

CID: 4738308

Formula: C7H6N2

MW: 118.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	118.14
XLogP3	1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	118.053098200
Monoisotopic Mass	118.053098200
Topological Polar Surface Area	36.7 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	133
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

Catalog	Name
OR300781-01	3-Cyano-2-hydroxy-4-methylpyridine
OR345307-01	5-Amino-2-cyano-3-methylpyridine
PC2514	3-Cyano-2-fluoro-6-methylpyridine
OR300761-01	2-Chloro-3-cyano-4-methylpyridine
OR300542	3-Cyano-2-mercapto-5-methylpyridine
OR47917	2-Cyano-5-methoxy-6-methylpyridine
OR1010414-01	2-Cyano-5-Methylpyridine 1-Oxide
OR300890-01	Ethyl 3-cyano-2-hydroxy-6-methylpyridine-5-carboxylate
OR361037-01	2-Cyano-3-methylpyridine-5-boronic acid, pinacol ester
OR13286	2-[ (2-Amino-2-oxoethyl) thio]-3-cyano-6-ethyl-5-methylpyridine