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2-chloro-5-fluoro-6-methoxypyridine-3-carboxylic acid

2-chloro-5-fluoro-6-methoxypyridine-3-carboxylic acid

CAS: 943025-86-3

Formula: C7H5ClFNO3

SMILES: COC1=NC(Cl)=C(C=C1F)C(O)=O

IUPAC: 2-chloro-5-fluoro-6-methoxypyridine-3-carboxylic acid

InChI: InChI=1S/C7H5ClFNO3/c1-13-6-4(9)2-3(7(11)12)5(8)10-6/h2H,1H3,(H,11,12)

Composition: C (40.90%), H (2.45%), Cl (17.24%), F (9.24%), N (6.81%), O (23.35%)

Molar Mass: 205.57

Atom Count: 18

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 204.9941989
Formal Charge 0
FSP3 0.14
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey UATPMYHTVZWCPY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.02
Topological Polar Surface Area 59.42
Polarizability 16.24
Ring Count 1
Rotatable Bond Count 2

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