Axitinib Impurity 58

CAT: 1299-RM-A164858-02Size: 25 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-A164858-02Size:25 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

6515-13-5

Synonyms

2- (prop-1-en-2-yl) pyridine

Molecular Formula

C8H9N

Molecular Weight

119.17

Target Alternative Name

Axitinib

Product Name Synonym

2- (prop-1-en-2-yl) pyridine

Chemical Information

2-Isopropenylpyridine

CAS Number	6515-13-5
PubChem CID	81007
IUPAC Name	2-prop-1-en-2-ylpyridine
Molecular Formula	C8H9N
Molecular Weight	119.16
XLogP	2.3
Topological Polar Surface Area	12.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	107

SMILES

CC(=C)C1=CC=CC=N1

InChI

InChI=1S/C8H9N/c1-7(2)8-5-3-4-6-9-8/h3-6H,1H2,2H3

InChIKey

MJKIORXNEJFOPX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6515-13-5

CID: 81007

Formula: C8H9N

MW: 119.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	119.16
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	119.073499291
Monoisotopic Mass	119.073499291
Topological Polar Surface Area	12.9 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	107
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