Palbociclib Impurity A

CAT: 1299-RM-P020301-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P020301-02Size:25 mg

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CAS Number

39856-50-3

Synonyms

5-bromo-2-nitropyridine

Molecular Formula

C5H3BrN2O2

Molecular Weight

202.99

Target Alternative Name

Palbociclib

Product Name Synonym

5-bromo-2-nitropyridine

Chemical Information

5-Bromo-2-nitropyridine

used as a reagent; structure in first source

CAS Number	39856-50-3
PubChem CID	817620
IUPAC Name	5-bromo-2-nitropyridine
Molecular Formula	C5H3BrN2O2
Molecular Weight	202.99
XLogP	1.7
Topological Polar Surface Area	58.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	136

SMILES

C1=CC(=NC=C1Br)[N+](=O)[O-]

InChI

InChI=1S/C5H3BrN2O2/c6-4-1-2-5(7-3-4)8(9)10/h1-3H

InChIKey

ATXXLNCPVSUCNK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 39856-50-3

CID: 817620

Formula: C5H3BrN2O2

MW: 202.99

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	202.99
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	201.93779
Monoisotopic Mass	201.93779
Topological Polar Surface Area	58.7 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	136
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
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RM-P020300-01	Palbociclib (controlled substance)
RM-P020409-01	Palbociclib-d8 (controlled substance)
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RM-G271002-01	Gc376 Impurity 2; Nirmatrelvir Impurity
RM-R210208-01	Rivaroxaban Impurity I (Potential Impurity)
RM-R210210-01	Rivaroxaban Impurity Iii (Potential Impurity)
RM-G271005-01	Gc376 Impurity 5; Nirmatrelvir Impurity
RM-R210211-01	Rivaroxaban Impurity Iv (Potential Impurity)