5-Nitro Nicotinic Acid

CAT: 0572-TRC-N496870-50MGSize: 50 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-N496870-50MGSize:50 mg

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CAS Number

2047-49-6

Synonyms

3-Pyridinecarboxylic acid, 5-nitro-; Nicotinic acid, 5-nitro- (6CI,7CI,8CI); 3-Carboxy-5-nitropyridine; 5-Nitro-3-pyridinecarboxylic acid; 5-Nitronicotinic acid

Hazard Statement

Harmful if swallowed.

Purity

>95% (HPLC)

Smiles

OC(=O)c1cncc(c1)[N+](=O)[O-]

Molecular Formula

C6 H4 N2 O4

Molecular Weight

168.11

InChI

InChI=1S/C6H4N2O4/c9-6(10)4-1-5(8(11)12)3-7-2-4/h1-3H,(H,9,10)

Additionnal Information

IUPAC name: 5-nitropyridine-3-carboxylic acid

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

5-Nitronicotinic acid

CAS Number	2047-49-6
PubChem CID	1514301
IUPAC Name	5-nitropyridine-3-carboxylic acid
Molecular Formula	C6H4N2O4
Molecular Weight	168.11
XLogP	0.2
Topological Polar Surface Area	96
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	200

SMILES

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

InChI

InChI=1S/C6H4N2O4/c9-6(10)4-1-5(8(11)12)3-7-2-4/h1-3H,(H,9,10)

InChIKey

TZAGBVHIUUFVCJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2047-49-6

CID: 1514301

Formula: C6H4N2O4

MW: 168.11

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	168.11
XLogP3	0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	168.01710661
Monoisotopic Mass	168.01710661
Topological Polar Surface Area	96 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	200
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

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Catalog	Name
FN26238	5-Nitro nicotinic acid
sc-259977A	2-Methoxy-5-nitro-nicotinic acid
OR1093737	5- (Methylthio) nicotinic acid
168895-01	Nicotinic Acid 99.5%
OR1066265-01	5- (Ethoxymethyl) nicotinic acid
OR94146-01	5- (Methoxycarbonyl) nicotinic acid
OR94939-01	5- (Methylsulfonyl) nicotinic acid
PC55851-01	5- (Difluoromethyl) nicotinic acid
GAC82625-01	5- (Difluoromethoxy) nicotinic acid
sc-256874	5- (Trifluoromethyl) nicotinic acid

5-Nitro Nicotinic Acid

Chemical Information

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