ethyl 6-(bromomethyl)pyridine-3-carboxylate

ethyl 6-(bromomethyl)pyridine-3-carboxylate

CAS: 178264-57-8

Formula: C9H10BrNO2

SMILES: CCOC(=O)C1=CC=C(CBr)N=C1

IUPAC: ethyl 6-(bromomethyl)pyridine-3-carboxylate

InChI: InChI=1S/C9H10BrNO2/c1-2-13-9(12)7-3-4-8(5-10)11-6-7/h3-4,6H,2,5H2,1H3

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	LPVLWROJDKJMST-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53
Topological Polar Surface Area	39.19
Polarizability	20.34
Ring Count	1
Rotatable Bond Count	4

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