2-ethoxy-5-methylnicotinic acid

CAT: 0127-OR1088101-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1088101-01Size:250 mg

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CAS Number

2322509-97-5

MDL Number

MFCD31580806

Purity

97%

Smiles

C1 (cnc (c (c1) C (=O) O) OCC) C

Chemical Information

2-Ethoxy-5-methylnicotinic acid

CAS Number	2322509-97-5
PubChem CID	170999871
IUPAC Name	2-ethoxy-5-methylpyridine-3-carboxylic acid
Molecular Formula	C9H11NO3
Molecular Weight	181.19
XLogP	1.4
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	184

SMILES

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

InChI

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

InChIKey

DSINIZWJDOATGV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2322509-97-5

CID: 170999871

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	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	181.07389321
Monoisotopic Mass	181.07389321
Topological Polar Surface Area	59.4 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	184
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
OR1082757	6-Ethoxy-2-methylnicotinic acid
OR1098788-01	2-ethoxy-6-methylnicotinic acid
OR1082777-01	6-ethoxy-4-methylnicotinic acid
OR21864-01	5-Methylnicotinic acid
OR959451-01	5-Bromo-2-methylnicotinic acid
OR1090755-01	2- (benzyloxy) -5-methylnicotinic acid
OR471690-01	2-Chloro-5-methylnicotinic acid
OR83330-01	2-Amino-5-methylnicotinic acid
OR1046017-01	5-Amino-2-methylnicotinic acid
OR1088104-01	2-isopropoxy-5-methylnicotinic acid

Catalog	Name
14586906-1g	5-Methylnicotinic acid
415291-01	2-Amino-5-methylnicotinic Acid
STB28636-01	5-Amino-2-methylnicotinic acid
CZB59472-01	2-Methoxy-5-methylnicotinic acid
SRB98600-01	2-Fluoro-5-methylnicotinic Acid
AR-N08656-01	2-Methylnicotinic Acid
FM63411-01	2-Methylnicotinic acid imidazolide
DVA43735-01	5-bromo-2-hydroxy-6-methylnicotinic acid
RYB86696-01	5-Cyano-6-methylnicotinic acid
LYB53194	6-Methoxy-5-Methylnicotinic Acid