Topiroxostat Impurity 60

CAT: 1299-RM-T161886-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-T161886-01Size:10 mg

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CAS Number

21379-40-8

Synonyms

Pyridine-2,4-dicarbohydrazide

Molecular Formula

C7H9N5O2

Molecular Weight

195.18

Target Alternative Name

Topiroxostat

Product Name Synonym

Pyridine-2,4-dicarbohydrazide

Chemical Information

Pyridine-2,4-dicarbohydrazide

CAS Number	21379-40-8
PubChem CID	12656250
IUPAC Name	pyridine-2,4-dicarbohydrazide
Molecular Formula	C7H9N5O2
Molecular Weight	195.18
XLogP	-1.9
Topological Polar Surface Area	123
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	232

SMILES

C1=CN=C(C=C1C(=O)NN)C(=O)NN

InChI

InChI=1S/C7H9N5O2/c8-11-6(13)4-1-2-10-5(3-4)7(14)12-9/h1-3H,8-9H2,(H,11,13)(H,12,14)

InChIKey

XILILYKJPFMMPH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 21379-40-8

CID: 12656250

Formula: C7H9N5O2

MW: 195.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	195.18
XLogP3	-1.9
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	195.07562455
Monoisotopic Mass	195.07562455
Topological Polar Surface Area	123 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	232
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
CS-T-94274	Topiroxostat Amide impurity
CS-P-02207	Topiroxostat Impurity 5
CS-P-01185	Topiroxostat Impurity 9
AR-T05575-01	Topiroxostat Impurity 41
AR-T05567-01	Topiroxostat Impurity 31
AR-T05566-01	Topiroxostat Impurity 30
AR-T02653-01	Topiroxostat Impurity 2
AR-T02668-01	Topiroxostat Impurity 14
AR-T02678-01	Topiroxostat Impurity 24
AR-T05570-01	Topiroxostat Impurity 34