methyl 6-bromo-3-methoxypyridine-2-carboxylate

methyl 6-bromo-3-methoxypyridine-2-carboxylate

CAS: 945954-94-9

Formula: C8H8BrNO3

SMILES: COC(=O)C1=C(OC)C=CC(Br)=N1

IUPAC: methyl 6-bromo-3-methoxypyridine-2-carboxylate

InChI: InChI=1S/C8H8BrNO3/c1-12-5-3-4-6(9)10-7(5)8(11)13-2/h3-4H,1-2H3

Composition: C (39.05%), H (3.28%), Br (32.47%), N (5.69%), O (19.51%)

Molar Mass: 246.06

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	244.968756
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	XCKUBONGWWQNJH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.48
Topological Polar Surface Area	48.42
Polarizability	19.45
Ring Count	1
Rotatable Bond Count	3

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