4,6-Dihydroxynicotinamide

CAT: 0127-OR470170Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

5466-41-1

MDL Number

MFCD18651680

Purity

=95%

Smiles

NC(=O)c1cnc(O)cc1O

Chemical Information

4,6-Dihydroxynicotinamide

CAS Number	5466-41-1
PubChem CID	54689631
IUPAC Name	4-hydroxy-6-oxo-1H-pyridine-3-carboxamide
Molecular Formula	C6H6N2O3
Molecular Weight	154.12
XLogP	-1.3
Topological Polar Surface Area	92.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	278

SMILES

C1=C(C(=CNC1=O)C(=O)N)O

InChI

InChI=1S/C6H6N2O3/c7-6(11)3-2-8-5(10)1-4(3)9/h1-2H,(H2,7,11)(H2,8,9,10)

InChIKey

ORASOOKDQIQMDZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5466-41-1

CID: 54689631

Formula: C6H6N2O3

MW: 154.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	154.12
XLogP3	-1.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	154.03784206
Monoisotopic Mass	154.03784206
Topological Polar Surface Area	92.4 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	278
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
PC450172-01	Methyl 4,4,5,5,6,6,6-heptafluorohexanoate
PC4496G	4,4,5,5,6,6,6-Heptafluorohexanoic acid
OR75211-01	4,4,4',4',6,6,6',6'-Octamethyl-2,2'-bi (1,3,2-dioxaborinane)
OR1045797-01	6- (4-Methoxyphenyl) -4,6-dioxohexanoic acid
OR1009876-01	2,2,4,4,6,6-Hexamethylcyclotrisilazane
OR27962	2,2,4,4,6,6-Hexamethylheptane
PC4496J	4,4,5,5,6,6,6-Heptafluorohex-2-ene
PC5432	4,4,5,5,6,6,6-Heptafluorohexan-2-one
OR1009883	2,2',6,6'-Tetramethyl-4,4'-biphenol
OR1027319-01	2,2',6,6'-Tetramethyl-4,4'-Bipyridine

Catalog	Name
sc-231201	2,6-Dihydroxynicotinamide
TRC-P276501-1MG	Pentoxifylline-4',4',6',6',6'-d5
D3579-69A	4,6-Dihydroxypyrimidine (4,6-Pyrimidinediol)
TRC-M339026-0.5MG	(±)-Mevalonolactone-4,4,5,5,6,6,6-d7
HY-W080797-01	4,4,5,5,6,6,6-Heptafluorohexanoic acid
TRC-C184697-250MG	(R)-(-)-Carvone 4,4,6,6-d4
IBA97903-01	2,2',4,4',6,6'-Hexachlorobiphenyl
sc-223462A	2,2,4,4,6,6-Hexamethylcyclotrisilazane
CDA72942-01	4,4,6,6-Tetramethylazepan-2-one
AR-B07334-01	2,2'4,4',6,6'-Hexabromobiphenyl