5-(benzyloxy)-2-(chloromethyl)pyridine

5-(benzyloxy)-2-(chloromethyl)pyridine

CAS: 127590-90-3

Formula: C13H12ClNO

SMILES: ClCC1=CC=C(OCC2=CC=CC=C2)C=N1

IUPAC: 5-(benzyloxy)-2-(chloromethyl)pyridine

InChI: InChI=1S/C13H12ClNO/c14-8-12-6-7-13(9-15-12)16-10-11-4-2-1-3-5-11/h1-7,9H,8,10H2

Composition: C (66.81%), H (5.18%), Cl (15.17%), N (5.99%), O (6.85%)

Molar Mass: 233.7

Atom Count: 28

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	233.0607417
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	CTWNTPDUEZHHNW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.32
Topological Polar Surface Area	22.12
Polarizability	25.19
Ring Count	2
Rotatable Bond Count	4

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