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5-bromo-2,4-dimethoxypyridine

5-bromo-2,4-dimethoxypyridine

CAS: 52606-07-2

Formula: C7H8BrNO2

SMILES: COC1=NC=C(Br)C(OC)=C1

IUPAC: 5-bromo-2,4-dimethoxypyridine

InChI: InChI=1S/C7H8BrNO2/c1-10-6-3-7(11-2)9-4-5(6)8/h3-4H,1-2H3

Composition: C (38.56%), H (3.70%), Br (36.64%), N (6.42%), O (14.67%)

Molar Mass: 218.05

Atom Count: 19

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 216.973842
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey IRLDCGSNDXFFQH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.76
Topological Polar Surface Area 31.35
Polarizability 17.43
Ring Count 1
Rotatable Bond Count 2

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