ethyl 2-bromo-4-methylpyridine-3-carboxylate

ethyl 2-bromo-4-methylpyridine-3-carboxylate

CAS: 65996-17-0

Formula: C9H10BrNO2

SMILES: CCOC(=O)C1=C(C)C=CN=C1Br

IUPAC: ethyl 2-bromo-4-methylpyridine-3-carboxylate

InChI: InChI=1S/C9H10BrNO2/c1-3-13-9(12)7-6(2)4-5-11-8(7)10/h4-5H,3H2,1-2H3

Composition: C (44.29%), H (4.13%), Br (32.74%), N (5.74%), O (13.11%)

Molar Mass: 244.088

Atom Count: 23

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	242.989492
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	DACPMMXAXKJTNU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.18
Topological Polar Surface Area	39.19
Polarizability	20.41
Ring Count	1
Rotatable Bond Count	3

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