methyl 3-bromopyridine-2-carboxylate

methyl 3-bromopyridine-2-carboxylate

CAS: 53636-56-9

Formula: C7H6BrNO2

SMILES: COC(=O)C1=NC=CC=C1Br

IUPAC: methyl 3-bromopyridine-2-carboxylate

InChI: InChI=1S/C7H6BrNO2/c1-11-7(10)6-5(8)3-2-4-9-6/h2-4H,1H3

Composition: C (38.92%), H (2.80%), Br (36.99%), N (6.48%), O (14.81%)

Molar Mass: 216.034

Atom Count: 17

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	214.958191
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	GSTYLUGZSCVBTJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.18
Topological Polar Surface Area	39.19
Polarizability	16.84
Ring Count	1
Rotatable Bond Count	2

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