Ethyl 2-methoxynicotinate

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CAS Number

16498-79-6

MDL Number

MFCD14698254

Smiles

C1cnc (c (c1) C (=O) OCC) OC

Chemical Information

Ethyl 2-methoxynicotinate

CAS Number	16498-79-6
PubChem CID	10654983
IUPAC Name	ethyl 2-methoxypyridine-3-carboxylate
Molecular Formula	C9H11NO3
Molecular Weight	181.19
XLogP	1.4
Topological Polar Surface Area	48.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	172

SMILES

CCOC(=O)C1=C(N=CC=C1)OC

InChI

InChI=1S/C9H11NO3/c1-3-13-9(11)7-5-4-6-10-8(7)12-2/h4-6H,3H2,1-2H3

InChIKey

ITAWGENPXHZGGA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16498-79-6

CID: 10654983

Formula: C9H11NO3

MW: 181.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	181.19
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	181.07389321
Monoisotopic Mass	181.07389321
Topological Polar Surface Area	48.4 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	172
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
OR1081838-01	Ethyl 2-chloro-5-methoxynicotinate
PC1013313-01	Ethyl 2-fluoro-4-methoxynicotinate
PC1013280-01	Ethyl 4-fluoro-2-methoxynicotinate
OR1082222-01	Ethyl 2-chloro-6-methoxynicotinate
OR1040476-01	Ethyl 2-chloro-4-methoxynicotinate
OR81877	Ethyl 2-amino-5-methoxynicotinate
OR91561-01	Ethyl 5-bromo-2-methoxynicotinate
OR1081785-01	Ethyl 4-chloro-6-methoxynicotinate
OR1081720	Ethyl 6-chloro-5-methoxynicotinate
PC1013006-01	Ethyl 6-fluoro-5-methoxynicotinate

Catalog	Name
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NHA57578-01	Ethyl[2- (2-methoxyethoxy) ethyl]amine
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