Ethyl 5-iodonicotinate

CAT: 0926-NCA47300-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-NCA47300-01Size:50 mg

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CAS Number

63473-00-7

MDL Number

MFCD12923236

Smiles

CCOC (=O) C1=CC (=CN=C1) I

Molecular Formula

C8H8INO2

Molecular Weight

277.06 g/mol

Controlled

Chemical Information

Ethyl 5-iodonicotinate

CAS Number	63473-00-7
PubChem CID	77230318
IUPAC Name	ethyl 5-iodopyridine-3-carboxylate
Molecular Formula	C8H8INO2
Molecular Weight	277.06
XLogP	1.7
Topological Polar Surface Area	39.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	163

SMILES

CCOC(=O)C1=CC(=CN=C1)I

InChI

InChI=1S/C8H8INO2/c1-2-12-8(11)6-3-7(9)5-10-4-6/h3-5H,2H2,1H3

InChIKey

MVSGCUYAMOYECF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 63473-00-7

CID: 77230318

Formula: C8H8INO2

MW: 277.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	277.06
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	276.95998
Monoisotopic Mass	276.95998
Topological Polar Surface Area	39.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	163
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
KKB95046	Methyl 6-hydroxy-5-iodonicotinate
DDA68683	Methyl 2-chloro-5-iodonicotinate
EEA09322-01	Ethyl 5,5-dimethylhexanoate
CAA32381-01	Ethyl 5-chloropentanoate
QDA41731-01	Ethyl 5-cyanonicotinate
VCA43250-01	Ethyl 5-oxoheptanoate
EAA45039-01	Ethyl 5-cyanopentanoate
UEA83047-01	Ethyl 5-aminopicolinate
BBA30840-01	Ethyl 5-ethyl-1H-pyrazole-3-carboxylate

Catalog	Name
OR1056039-01	Ethyl 5-iodonicotinate
sc-327106	Ethyl 2- (benzylamino) -5-iodonicotinate
OR1038044-01	Ethyl 2-amino-5-iodonicotinate
OR1096855-01	Ethyl 5-bromo-6-iodonicotinate
OR94097-01	Ethyl 5-hydroxy-6-iodonicotinate
OR91926-01	Ethyl 6-iodonicotinate
OR94622-01	Ethyl 4-amino-6-chloro-5-iodonicotinate
sc-300565	Ethyl 2-chloro-4-iodonicotinate
OR1088336-01	Ethyl 6-chloro-4-iodonicotinate
OR1089430-01	Ethyl 3-ethyl-5-formylbenzoate