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2-bromo-6-methoxypyridine-4-carboxylic acid

2-bromo-6-methoxypyridine-4-carboxylic acid

CAS: 853029-93-3

Formula: C7H6BrNO3

SMILES: COC1=NC(Br)=CC(=C1)C(O)=O

IUPAC: 2-bromo-6-methoxypyridine-4-carboxylic acid

InChI: InChI=1S/C7H6BrNO3/c1-12-6-3-4(7(10)11)2-5(8)9-6/h2-3H,1H3,(H,10,11)

Composition: C (36.23%), H (2.61%), Br (34.44%), N (6.04%), O (20.69%)

Molar Mass: 232.033

Atom Count: 18

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 230.953106
Formal Charge 0
FSP3 0.14
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey MSWQBBSWODQKLQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.4
Topological Polar Surface Area 59.42
Polarizability 17.44
Ring Count 1
Rotatable Bond Count 2

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