2- (Morpholin-4-yl) isonicotinic acid

CAT: 0127-OR3881-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR3881-01Size:100 mg

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CAS Number

295349-64-3

Synonyms

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

MDL Number

MFCD03411666

Purity

98%

Smiles

OC(=O)c1ccnc(c1)N2CCOCC2

Notes

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Chemical Information

2-(Morpholin-4-yl)isonicotinic acid

CAS Number	295349-64-3
PubChem CID	2762479
IUPAC Name	2-morpholin-4-ylpyridine-4-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=NC=CC(=C2)C(=O)O

InChI

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

InChIKey

OVOIVNZYILYGKU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 295349-64-3

CID: 2762479

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

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Catalog	Name
283982-01	2-Morpholin-4-yl-isonicotinic acid
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422890-01	3- (4-Fluorophenyl) isonicotinic acid
056587-01	4-Cyanopyridine (Isonicotinic Acid Nitrile)
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