6-Ethoxy-2-methylnicotinic acid

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CAS Number

1355180-16-3

MDL Number

MFCD21086438

Smiles

C1c (nc (c (c1) C (=O) O) C) OCC

Chemical Information

6-Ethoxy-2-methylnicotinic acid

CAS Number	1355180-16-3
PubChem CID	79885411
IUPAC Name	6-ethoxy-2-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=NC(=C(C=C1)C(=O)O)C

InChI

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

InChIKey

WQSHHDNWIVOVNE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1355180-16-3

CID: 79885411

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
OR1098788-01	2-ethoxy-6-methylnicotinic acid
OR1082777-01	6-ethoxy-4-methylnicotinic acid
OR1088101-01	2-ethoxy-5-methylnicotinic acid
OR13706-01	6-Methylnicotinic acid
OR73673-01	6-Bromo-2-methylnicotinic acid
OR16448-01	6-Amino-2-methylnicotinic acid
OR60139-01	6-Methoxy-2-methylnicotinic acid
OR310139-01	6-Chloro-2-methylnicotinic acid
OR0533-01	2-Hydroxy-6-methylnicotinic acid
OR13537	2- (Allylthio) -6-methylnicotinic acid

Catalog	Name
HY-W008333	6-Methylnicotinic acid
418300-01	2-Hydroxy-6-methylnicotinic acid
438557-01	6-Fluoro-2-methylnicotinic acid
FC09440-01	2-Chloro-6-methylnicotinic acid
RCA90937-01	6-Hydroxy-2-methylnicotinic Acid
HY-W008333R-01	6-Methylnicotinic acid (Standard)
AR-N08656-01	2-Methylnicotinic Acid
M22680-01	6-Methylnicotinic acid 98%
sc-352938A	6- (3-bromophenyl) -2-methylnicotinic acid
FD142612	4,6-Dichloro-2-methylnicotinic acid