methyl 6-bromo-5-methylpyridine-2-carboxylate

methyl 6-bromo-5-methylpyridine-2-carboxylate

CAS: 1209093-48-0

Formula: C8H8BrNO2

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

IUPAC: methyl 6-bromo-5-methylpyridine-2-carboxylate

InChI: InChI=1S/C8H8BrNO2/c1-5-3-4-6(8(11)12-2)10-7(5)9/h3-4H,1-2H3

Composition: C (41.77%), H (3.51%), Br (34.73%), N (6.09%), O (13.91%)

Molar Mass: 230.061

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	228.973842
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	XIMJHTDWAZXRRR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.06
Topological Polar Surface Area	39.19
Polarizability	18.62
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	1209093-48-0		$139.97-$607.80$139.97$224.46$607.80