Methyl 6-hydroxy-5-iodonicotinate

CAT: 0926-KKB95046Size: 10 gDry Ice: NoHazardous: No

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CAT#:0926-KKB95046Size:10 g

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CAS Number

885950-46-9

MDL Number

MFCD08276965

Smiles

COC (=O) C1=CNC (=O) C (=C1) I

Molecular Formula

C7H6INO3

Molecular Weight

279 g/mol

Controlled

Chemical Information

Methyl 5-iodo-6-oxo-1,6-dihydropyridine-3-carboxylate

CAS Number	885950-46-9
PubChem CID	18525955
IUPAC Name	methyl 5-iodo-6-oxo-1H-pyridine-3-carboxylate
Molecular Formula	C7H6INO3
Molecular Weight	279.03
XLogP	0.4
Topological Polar Surface Area	55.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	293

SMILES

COC(=O)C1=CNC(=O)C(=C1)I

InChI

InChI=1S/C7H6INO3/c1-12-7(11)4-2-5(8)6(10)9-3-4/h2-3H,1H3,(H,9,10)

InChIKey

LHGAGXUKDZFFSF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 885950-46-9

CID: 18525955

Formula: C7H6INO3

MW: 279.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	279.03
XLogP3	0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	278.93924
Monoisotopic Mass	278.93924
Topological Polar Surface Area	55.4 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	293
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
ZWB02821-01	Methyl 5-bromo-6-iodonicotinate
DDA68683	Methyl 2-chloro-5-iodonicotinate
NCA47300-01	Ethyl 5-iodonicotinate
XIA97061	Methyl 6-hydroxy-5-nitronicotinate
FH34760-01	5-Hydroxy-2-methyl-6-nitropyridine
MBA53116-01	5-Hydroxy-6-methyl-nicotinic acid methyl ester
JMB36139-01	Methyl 5-chloro-2-hydroxy-6-methylnicotinate
PXB81687-01	Methyl 5-hydroxy-6-iodopyridine-3-carboxylate
ZEA99248-01	Diclofop-methyl-5-hydroxy
BDA51064	5-Iodo-4-hydroxy-6-methyl-2-methylthiopyrimidine

Catalog	Name
OR1074379-01	Methyl 5-hydroxy-6-iodonicotinate
OR110402-01	Methyl 6-hydroxy-5-iodonicotinate
OR15292-01	Methyl 6-chloro-5-iodonicotinate
OR85359-01	Methyl 5-bromo-6-iodonicotinate
OR902119-01	Methyl 6-iodonicotinate
sc-328737A	Methyl 4,6-dihydroxy-5-iodonicotinate
OR1040066-01	Methyl 6-chloro-4-iodonicotinate
454902-01	Methyl 2-chloro-5-iodonicotinate
OR110282	Methyl 2-ethoxy-5-iodonicotinate
OR86851-01	Methyl 5-bromo-4-iodonicotinate