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

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

CAS: 1009735-23-2

Formula: C8H8BrNO3

SMILES: COC(=O)C1=CC=C(OC)N=C1Br

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

InChI: InChI=1S/C8H8BrNO3/c1-12-6-4-3-5(7(9)10-6)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	QTEYDTHXMHRDGR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.17
Topological Polar Surface Area	48.42
Polarizability	19.45
Ring Count	1
Rotatable Bond Count	3

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