Nicotinic Acid EP Impurity I

CAT: 1299-RM-N032009-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-N032009-01Size:10 mg

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CAS Number

940-06-7

Synonyms

3,5-dinitropyridine

Molecular Formula

C5H3N3O4

Molecular Weight

169.1

Target Alternative Name

Nicotinic Acid

Product Name Synonym

3,5-dinitropyridine

Chemical Information

3,5-Dinitropyridine

CAS Number	940-06-7
PubChem CID	598054
IUPAC Name	3,5-dinitropyridine
Molecular Formula	C5H3N3O4
Molecular Weight	169.10
XLogP	0.5
Topological Polar Surface Area	105
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	176

SMILES

C1=C(C=NC=C1[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C5H3N3O4/c9-7(10)4-1-5(8(11)12)3-6-2-4/h1-3H

InChIKey

RFSIFTKIXZLPHR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 940-06-7

CID: 598054

Formula: C5H3N3O4

MW: 169.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	169.10
XLogP3	0.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	169.01235559
Monoisotopic Mass	169.01235559
Topological Polar Surface Area	105 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	176
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
RM-N032001-01	Nicotinic Acid EP Impurity A
RM-N032005-01	Nicotinic Acid EP Impurity E
RM-N032008-01	Nicotinic Acid EP Impurity H
RM-N032003-01	Nicotinic Acid EP Impurity C
RM-N032004-01	Nicotinic Acid EP Impurity D
RM-N032006-01	Nicotinic Acid EP Impurity F
RM-N032002-01	Nicotinic Acid EP Impurity B
RM-F211909-01	Fusidic Acid EP Impurity I; Sodium Fusidate EP Impurity I
RM-S041909-01	Sodium Valproate EP Impurity I; Valproic Acid EP Impurity I
RM-U190409-01	Ursodeoxycholic Acid EP Impurity I