3-Methyl-5-nitropicolinic acid

CAT: 0127-OR1001560-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1001560-01Size:100 mg

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CAS Number

1211578-56-1

Purity

98%

Smiles

O=C(C1=NC=C(N(=O)=O)C=C1C)O

Chemical Information

3-Methyl-5-nitropyridine-2-carboxylic acid

CAS Number	1211578-56-1
PubChem CID	122362513
IUPAC Name	3-methyl-5-nitropyridine-2-carboxylic acid
Molecular Formula	C7H6N2O4
Molecular Weight	182.13
XLogP	0.9
Topological Polar Surface Area	96
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	225

SMILES

CC1=CC(=CN=C1C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C7H6N2O4/c1-4-2-5(9(12)13)3-8-6(4)7(10)11/h2-3H,1H3,(H,10,11)

InChIKey

JJDGXHPKVXOWHN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1211578-56-1

CID: 122362513

Formula: C7H6N2O4

MW: 182.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	182.13
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	182.03275668
Monoisotopic Mass	182.03275668
Topological Polar Surface Area	96 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	225
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
OR75964-01	6-Chloro-5-nitropicolinic acid
OR81478-01	6-Methoxy-5-nitropicolinic acid
OR1048567-01	5-Chloro-6-nitropicolinic acid
OR85140-01	5-Methoxy-6-nitropicolinic acid
OR1058718-01	6-Bromo-3-nitropicolinic acid
OR1007738-01	4,6-Dichloro-5-nitropicolinic acid
OR82579-01	6-Bromo-4-nitropicolinic acid
OR1021894	6-Methyl-5-nitronicotinic acid
OR361465-01	3-Methyl-5-propoxyphenylboronic acid
OR1086031-01	3-Methyl-5-propoxybenzoic acid

Catalog	Name
AUA27262-01	6-Methoxy-5-nitropicolinic acid
sc-262882	6-Nitropicolinic acid
sc-226145	3-Methyl-5-isoxazoleacetic acid
TRC-M436360-500MG	3-Methyl-5-hydroxymethylbenzoic Acid
CAA93913-01	3-Methyl-5-phenylpentanoic acid
CBA34940	3-Methyl-5-isoxazoleacetic acid methyl ester
426406-01	3-Methyl-5-oxo-5-phenylvaleric Acid
017055	N-Methyl-3-[3- (5-methoxycarbonylpyridyl) -5-isoxazolecarboxylic Acid Methyl Ester
MBS6102263-01	N-Methyl-3-[3-(5-methoxycarbonylpyridyl)-5-isoxazolecarboxylic Acid Methyl Ester
423482-01	3-[[[3- (Aminomethyl) -5-methyl-1-oxohexyl]amino]methyl]-5-methyl-hexanoic Acid