2-Ethoxy-5-iodonicotinic acid

CAT: 0024-sc-356419Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-356419Size:1 g

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CAS Number

335078-07-4

Chemical Information

2-Ethoxy-5-iodonicotinic acid

CAS Number	335078-07-4
PubChem CID	22648229
IUPAC Name	2-ethoxy-5-iodopyridine-3-carboxylic acid
Molecular Formula	C8H8INO3
Molecular Weight	293.06
XLogP	1.7
Topological Polar Surface Area	59.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	188

SMILES

CCOC1=C(C=C(C=N1)I)C(=O)O

InChI

InChI=1S/C8H8INO3/c1-2-13-7-6(8(11)12)3-5(9)4-10-7/h3-4H,2H2,1H3,(H,11,12)

InChIKey

DHVUWACWJRDVBQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 335078-07-4

CID: 22648229

Formula: C8H8INO3

MW: 293.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	293.06
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	292.95489
Monoisotopic Mass	292.95489
Topological Polar Surface Area	59.4 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	188
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
sc-307451	2-Chloro-5-iodonicotinic acid
sc-305873	2- (Benzylamino) -5-iodonicotinic acid
sc-308064	2-Hydroxy-5-iodonicotinic acid
sc-305873A	2- (Benzylamino) -5-iodonicotinic acid
sc-308064A	2-Hydroxy-5-iodonicotinic acid
sc-307451A	2-Chloro-5-iodonicotinic acid
sc-311242A	6-Chloro-5-iodonicotinic acid
sc-311242	6-Chloro-5-iodonicotinic acid
sc-274519	2-Chloro-4-iodonicotinic acid
sc-298424	2-Ethoxy-5-fluorophenylboronic acid

Catalog	Name
OR2745-01	2-Ethoxy-5-iodonicotinic acid
OR16444-01	2-Hydroxy-5-iodonicotinic acid
OR1026455-01	5-Iodonicotinic Acid
OR1068232-01	2-Iodonicotinic acid
OR1044759-01	2-Bromo-5-iodonicotinic acid
OR15279	2-Chloro-5-iodonicotinic acid
OR303692	2- (Benzylamino) -5-iodonicotinic acid
OR87451-01	5-Hydroxy-6-iodonicotinic acid
OR303730-01	6-Chloro-5-iodonicotinic acid
OR1003984-01	6-Amino-5-iodonicotinic acid