2-Ethoxy-4-iodonicotinaldehyde

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CAS Number

1706453-26-0

MDL Number

MFCD27501043

Purity

=95%

Smiles

CCOc1nccc(I)c1C=O

Chemical Information

2-Ethoxy-4-iodonicotinaldehyde

CAS Number	1706453-26-0
PubChem CID	97357120
IUPAC Name	2-ethoxy-4-iodopyridine-3-carbaldehyde
Molecular Formula	C8H8INO2
Molecular Weight	277.06
XLogP	1.6
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	154

SMILES

CCOC1=NC=CC(=C1C=O)I

InChI

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

InChIKey

WSRFDEYKWLMMHT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1706453-26-0

CID: 97357120

Formula: C8H8INO2

MW: 277.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	277.06
XLogP3	1.6
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	154
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
OR2658	2-Chloro-4-iodonicotinaldehyde
OR15636	2- (Dimethylamino) -4-iodonicotinaldehyde
PC8525-01	2-Fluoro-4-iodonicotinaldehyde
PC100109-01	2,6-Difluoro-4-iodonicotinaldehyde
OR77442-01	2,6-Dichloro-4-iodonicotinaldehyde
OR1094032	6-iodonicotinaldehyde
PC1010203-01	2-fluoro-6-iodonicotinaldehyde
OR1057510-01	5-Iodonicotinaldehyde
OR87067-01	2- (2- (2- (2- (4-Nitrophenoxy) ethoxy) ethoxy) ethoxy) ethyl 4-methylbenzenesulfonate
OR88561-01	2- (2- (2- (2- (4-Nitrophenoxy) ethoxy) ethoxy) ethoxy) ethanamine

Catalog	Name
153034-82-3	2-Fluoro-4-iodonicotinaldehyde
sc-307405A	2-Chloro-4-iodonicotinaldehyde oxime
JH916678	6-BROMO-4-IODONICOTINALDEHYDE
sc-346875	3-Ethoxy-4-[2- (4-ethoxy-phenoxy) -ethoxy]-benzaldehyde
LHA36571-01	4-{2-[2- (2-Methoxyethoxy) ethoxy]ethoxy}phenol
FPA11694-01	4-{2-[2- (2-Methoxyethoxy) ethoxy]ethoxy}aniline
TRC-N827365-250MG	2-(2-(2-(2-(4-Nonylphenoxy)ethoxy)ethoxy)ethoxy)ethan-1-ol
TXA55400	3-Ethoxy-4-[2- (4-ethoxyphenoxy) ethoxy]benzaldehyde
JDA82250-01	4-Ethoxy-2-methylphenol
432145-01	4-Ethoxy-2-fluoroaniline