ethyl 2-bromo-5-fluoropyridine-4-carboxylate

ethyl 2-bromo-5-fluoropyridine-4-carboxylate

CAS: 1072206-72-4

Formula: C8H7BrFNO2

SMILES: CCOC(=O)C1=CC(Br)=NC=C1F

IUPAC: ethyl 2-bromo-5-fluoropyridine-4-carboxylate

InChI: InChI=1S/C8H7BrFNO2/c1-2-13-8(12)5-3-7(9)11-4-6(5)10/h3-4H,2H2,1H3

Composition: C (38.74%), H (2.84%), Br (32.21%), F (7.66%), N (5.65%), O (12.90%)

Molar Mass: 248.051

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	246.96442
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	GUFCZLQDLILEFF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.36
Topological Polar Surface Area	39.19
Polarizability	18.56
Ring Count	1
Rotatable Bond Count	3

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