Roflumilast Impurity 13

CAT: 1299-RM-R458039-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-R458039-01Size:10 mg

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CAS Number

159783-78-5

Synonyms

3-bromo-5-chloropyridin-4-amine

Molecular Formula

C5H4BrClN2

Molecular Weight

207.46

Target Alternative Name

Roflumilast

Product Name Synonym

3-bromo-5-chloropyridin-4-amine

Chemical Information

3-Bromo-5-chloropyridin-4-amine

CAS Number	159783-78-5
PubChem CID	34176492
IUPAC Name	3-bromo-5-chloropyridin-4-amine
Molecular Formula	C5H4BrClN2
Molecular Weight	207.45
XLogP	1.5
Topological Polar Surface Area	38.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	101

SMILES

C1=C(C(=C(C=N1)Br)N)Cl

InChI

InChI=1S/C5H4BrClN2/c6-3-1-9-2-4(7)5(3)8/h1-2H,(H2,8,9)

InChIKey

VOEIEXVBLCRZCS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 159783-78-5

CID: 34176492

Formula: C5H4BrClN2

MW: 207.45

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	207.45
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	205.92464
Monoisotopic Mass	205.92464
Topological Polar Surface Area	38.9 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	101
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
IR168438-01	Roflumilast Impurity A
AR-R11321-01	Roflumilast Impurity 14
AR-R11323-01	Roflumilast Impurity 20
HY-100640-01	Roflumilast Impurity E
AR-R11319-01	Roflumilast Impurity 12
AR-R11320-01	Roflumilast Impurity 13
AR-R11326-01	Roflumilast Impurity 11
AR-R11327-01	Roflumilast Impurity 15
AR-R11325-01	Roflumilast Impurity 22
AR-R01915-01	Roflumilast Desdifluoromethyl Impurity