3-bromo-N-[(4-methoxyphenyl)methyl]pyridin-2-amine

3-bromo-N-[(4-methoxyphenyl)methyl]pyridin-2-amine

CAS: 1009069-83-3

Formula: C13H13BrN2O

SMILES: COC1=CC=C(CNC2=C(Br)C=CC=N2)C=C1

IUPAC: 3-bromo-N-[(4-methoxyphenyl)methyl]pyridin-2-amine

InChI: InChI=1S/C13H13BrN2O/c1-17-11-6-4-10(5-7-11)9-16-13-12(14)3-2-8-15-13/h2-8H,9H2,1H3,(H,15,16)

Composition: C (53.26%), H (4.47%), Br (27.26%), N (9.56%), O (5.46%)

Molar Mass: 293.164

Atom Count: 30

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	292.021126
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	MVIMDOOGCSXGFK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	73.11
Topological Polar Surface Area	34.15
Polarizability	27.27
Ring Count	2
Rotatable Bond Count	4

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