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2-chloro-3-fluoro-5-iodopyridine-4-carboxylic acid

2-chloro-3-fluoro-5-iodopyridine-4-carboxylic acid

CAS: 2219379-36-7

Formula: C6H2ClFINO2

SMILES: OC(=O)C1=C(I)C=NC(Cl)=C1F

IUPAC: 2-chloro-3-fluoro-5-iodopyridine-4-carboxylic acid

InChI: InChI=1S/C6H2ClFINO2/c7-5-4(8)3(6(11)12)2(9)1-10-5/h1H,(H,11,12)

Composition: C (23.91%), H (0.67%), Cl (11.76%), F (6.30%), I (42.10%), N (4.65%), O (10.62%)

Molar Mass: 301.44

Atom Count: 14

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 300.88028
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey COXWICAAMAQUIR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.6
Topological Polar Surface Area 50.19
Polarizability 19.25
Ring Count 1
Rotatable Bond Count 1

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