Ethyl isonicotinate

CAT: 0127-OR1918-01Size: 50 gDry Ice: NoHazardous: No

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CAT#:0127-OR1918-01Size:50 g

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CAS Number

1570-45-2

Synonyms

Ethyl pyridine-4-carboxylate, 4- (Ethoxycarbonyl) pyridine

MDL Number

MFCD00006428

Purity

99%

Smiles

CCOC(=O)c1ccncc1

Chemical Information

Ethyl isonicotinate

structure in first source

CAS Number	1570-45-2
PubChem CID	15291
IUPAC Name	ethyl pyridine-4-carboxylate
Molecular Formula	C8H9NO2
Molecular Weight	151.16
XLogP	1.4
Topological Polar Surface Area	39.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	11
Formal Charge	0
Complexity	130

SMILES

CCOC(=O)C1=CC=NC=C1

InChI

InChI=1S/C8H9NO2/c1-2-11-8(10)7-3-5-9-6-4-7/h3-6H,2H2,1H3

InChIKey

MCRPKBUFXAKDKI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1570-45-2

CID: 15291

Formula: C8H9NO2

MW: 151.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	151.16
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	151.063328530
Monoisotopic Mass	151.063328530
Topological Polar Surface Area	39.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	130
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
OR0448-01	Ethyl 3- (chlorosulfonyl) isonicotinate
PC100485-01	Ethyl 2- (difluoromethoxy) isonicotinate
OR1054111	Ethyl 2- (methylsulfonyl) isonicotinate
OR93535	Ethyl 2- (4-formylphenoxy) isonicotinate
OR94638-01	Ethyl 2- (aminomethyl) isonicotinate hydrochloride
PC1026551-01	Ethyl 2-chloro-5- (trifluoromethyl) isonicotinate
OR1048920-01	Ethyl 2- (piperazin-1-yl) isonicotinate
PC1007381-01	Ethyl 2-chloro-6- (trifluoromethyl) isonicotinate
PC200300	Ethyl 2,6-bis (trifluoromethyl) isonicotinate
PC103205	Ethyl 5-bromo-2- (trifluoromethyl) isonicotinate

Catalog	Name
E11760-01	Ethyl isonicotinate
275728-01	Ethyl 2- (Aminomethyl) Isonicotinate Hydrochloride
237569-01	Ethyl 2- (Aminomethyl) Isonicotinate Hydrochloride 99+% (HPLC)
TRC-D337670-1G	Dexamethasone Isonicotinate
017136	Methyl Isonicotinate
sc-484712	Phenyl Isonicotinate
sc-484703	Allyl Isonicotinate
sc-485260	Sodium Isonicotinate
sc-484040	Methyl Isonicotinate-13C3
abx182521-01	Methyl 2-(hydroxymethyl)isonicotinate