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methyl 2-fluoro-6-methoxypyridine-3-carboxylate

methyl 2-fluoro-6-methoxypyridine-3-carboxylate

CAS: 117671-03-1

Formula: C8H8FNO3

SMILES: COC(=O)C1=C(F)N=C(OC)C=C1

IUPAC: methyl 2-fluoro-6-methoxypyridine-3-carboxylate

InChI: InChI=1S/C8H8FNO3/c1-12-6-4-3-5(7(9)10-6)8(11)13-2/h3-4H,1-2H3

Composition: C (51.90%), H (4.36%), F (10.26%), N (7.57%), O (25.92%)

Molar Mass: 185.154

Atom Count: 21

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 185.048821285
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey YLLWDQYTWVZRJD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 43.93
Topological Polar Surface Area 48.42
Polarizability 16.2
Ring Count 1
Rotatable Bond Count 3

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