2- (4-Morpholino) nicotinic acid

CAT: 0127-OR23389Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-OR23389Size:1 Each

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CAS Number

423768-54-1

MDL Number

MFCD03086193

Smiles

OC (=O) c1cccnc1N2CCOCC2

Chemical Information

2-(Morpholin-4-yl)pyridine-3-carboxylic acid

CAS Number	423768-54-1
PubChem CID	2776568
IUPAC Name	2-morpholin-4-ylpyridine-3-carboxylic acid
Molecular Formula	C10H12N2O3
Molecular Weight	208.21
XLogP	0.5
Topological Polar Surface Area	62.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	229

SMILES

C1COCCN1C2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C10H12N2O3/c13-10(14)8-2-1-3-11-9(8)12-4-6-15-7-5-12/h1-3H,4-7H2,(H,13,14)

InChIKey

YDUPMJIUJMCXAL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 423768-54-1

CID: 2776568

Formula: C10H12N2O3

MW: 208.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	208.21
XLogP3	0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	208.08479225
Monoisotopic Mass	208.08479225
Topological Polar Surface Area	62.7 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	229
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
OR23383-01	2- (4-Morpholino) benzoic acid
OR21701	2- (4-chlorophenoxy) nicotinic acid
OR01580	2- (4-Aminobutylamino) nicotinic acid
PC1298	2- (4-Fluorophenoxy) nicotinic acid
OR23270-01	6- (Morpholin-4-yl) nicotinic acid
OR1102698-01	2- ((4-Isopropylphenyl) amino) nicotinic acid
OR97812	2-Bromo-4-phenyl-nicotinic acid
PC8966	2-Bromo-4- (trifluoromethyl) nicotinic acid
OR21699	2-[ (4-Methylphenyl) thio]nicotinic acid
PC109587-01	6- (2,4-Difluorophenoxy) nicotinic acid

Catalog	Name
sc-259239A	2- (4-Morpholino) nicotinic acid
ZAA20274	4- (Methoxycarbonyl) nicotinic acid
FL0181	4- (Trifluoromethyl) nicotinic acid
IDA03902-01	4- (Dimethylamino) nicotinic acid
AR-N08643-01	Nicotinic Acid Impurity 4
sc-232395	4-Amino-nicotinic acid
429110-01	4- (4-Cyanophenyl) nicotinic acid
429180-01	4- (4-Fluorophenyl) nicotinic acid
YRB30798-01	5- (4-Ethoxyphenyl) nicotinic acid
LCA53237-01	2- (4-Bromophenoxy) nicotinic acid