Pyridine Impurity 16

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CAS Number

899356-95-7

Molecular Formula

C11H16N2

Molecular Weight

176.26

API Name

Pyridine

Chemical Information

4-(Piperidin-4-ylmethyl)pyridine

CAS Number	899356-95-7
PubChem CID	3736677
IUPAC Name	4-(piperidin-4-ylmethyl)pyridine
Molecular Formula	C11H16N2
Molecular Weight	176.26
XLogP	1.4
Topological Polar Surface Area	24.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	135

SMILES

C1CNCCC1CC2=CC=NC=C2

InChI

InChI=1S/C11H16N2/c1-5-12-6-2-10(1)9-11-3-7-13-8-4-11/h1-2,5-6,11,13H,3-4,7-9H2

InChIKey

IZGBPYJZRFCEDQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 899356-95-7

CID: 3736677

Formula: C11H16N2

MW: 176.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	176.26
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	176.131348519
Monoisotopic Mass	176.131348519
Topological Polar Surface Area	24.9 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	135
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
RM-D141609-01	Donepezil Pyridine Dihydro Impurity
RM-I120102-01	Ilaprazole Impurity 2 (Ilaprazole Pyridine N-Oxide)
OR1037374-01	N- (Butylcarbamoyl) -4- (m-tolylamino) pyridine-3-sulfonamide (Torasemide Impurity)
RM-I120130-01	Ilaprazole Impurity 30 (Ilaprazole Pyridine N-Oxide Sodium Salt) discontinued see RM-I120102
OR1075872-01	3-Isopropyl 5- (2-methoxyethyl) 2,6-dimethyl-4- (3-nitrophenyl) pyridine-3,5-dicarboxylate (Nimodipine Impurity)
HY-Z7654R	3-Isopropyl 5- (2-methoxyethyl) 2,6-dimethyl-4- (3-nitrophenyl) pyridine-3,5-dicarboxylate (Nimodipine Impurity) (Standard)
TRC-B426450-25MG	2,3-Bis(1,5-dihydro-5-methyl-5-(1-methylethyl-4H-Imadazol-4-one)-5-methoxymethyl Pyridine (Imazamox Impurity)
159838	2,3-Bis (1,5-dihydro-5-methyl-5- (1-methylethyl-4H-Imadazol-4-one) -5-methoxymethyl Pyridine (Imazamox Impurity)
HY-Z2623R	Ethyl 6- (4- (5-chloropentanamido) phenyl) -1- (4-methoxyphenyl) -7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate (Apixaban Impurity) (Standard)
OR1007707-01	Ethyl 2- (((1S,2R,4S) -4- (dimethylcarbamoyl) -2- (5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamido) cyclohexyl) amino) -2-oxoacetate (Edoxaban Impurity)