4-Benzylpyridine

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CAS Number

2116-65-6

MDL Number

MFCD00006443

Purity

=95%

Smiles

C(c1ccccc1)c2ccncc2

Chemical Information

4-Benzylpyridine

a potent inducer of hepatic microsomal cytochrome P450; dose- and sex-dependent effects

CAS Number	2116-65-6
PubChem CID	16458
IUPAC Name	4-benzylpyridine
Molecular Formula	C12H11N
Molecular Weight	169.22
XLogP	2.6
Topological Polar Surface Area	12.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	132

SMILES

C1=CC=C(C=C1)CC2=CC=NC=C2

InChI

InChI=1S/C12H11N/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-9H,10H2

InChIKey

DBOLXXRVIFGDTI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2116-65-6

CID: 16458

Formula: C12H11N

MW: 169.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	169.22
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	169.089149355
Monoisotopic Mass	169.089149355
Topological Polar Surface Area	12.9 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	132
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
OR8758	2-Benzylpyridine
OR8904-01	3-Benzylpyridine
OR1046118-01	N3-Benzylpyridine-3,4-diamine
OR3773	4- (Benzylamino) -N-benzylpyridine-2-carboxamide
OR1064303-01	N3-Benzylpyridine-2,3-diamine
OR923908	1-Benzylpyridin-4 (1H) -one
OR92313-01	2-Benzylpyrimidine-4,6-diol
OR1054094	1-Benzylpyrimidine-2,4 (1H,3H) -dione
OR1061756-01	5-Benzylpyrimidine-2,4 (1H,3H) -dione
OR82661-01	(S) -2- (6-Benzylpyridin-2-yl) -4- (tert-butyl) -4,5-dihydrooxazole

Catalog	Name
412115	4-Benzylpyridine
GAA32063	N-Benzylpyridine-4-carboxamide
PDK0004	2-Benzylpyridine
sc-487397	3-Benzylpyridine
B09430-01	2-Benzylpyridine 99%
001969	2-Amino-3-benzylpyridine
DLB48283-01	N-Benzylpyridine-3-sulfonamide
FDD54786-01	5-Benzylpyridine-2-carboxylic acid hydrochloride
C11390	P-Chloro (2-dimethylaminoethyl) benzylpyridine maleate
HY-W099255-01	Ethyl 4,4,4,4',4',4'-hexafluoro-DL-valinate