ethyl 5-bromo-6-chloropyridine-3-carboxylate

ethyl 5-bromo-6-chloropyridine-3-carboxylate

CAS: 952063-30-8

Formula: C8H7BrClNO2

SMILES: CCOC(=O)C1=CC(Br)=C(Cl)N=C1

IUPAC: ethyl 5-bromo-6-chloropyridine-3-carboxylate

InChI: InChI=1S/C8H7BrClNO2/c1-2-13-8(12)5-3-6(9)7(10)11-4-5/h3-4H,2H2,1H3

Composition: C (36.33%), H (2.67%), Br (30.21%), Cl (13.40%), N (5.30%), O (12.10%)

Molar Mass: 264.5

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	262.934869
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	ZKAIZRTVEQRPSC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.16
Topological Polar Surface Area	39.19
Polarizability	20.69
Ring Count	1
Rotatable Bond Count	3

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