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4,6-dichloro-2-methylpyridine-3-carboxylic acid

4,6-dichloro-2-methylpyridine-3-carboxylic acid

CAS: 693286-31-6

Formula: C7H5Cl2NO2

SMILES: CC1=NC(Cl)=CC(Cl)=C1C(O)=O

IUPAC: 4,6-dichloro-2-methylpyridine-3-carboxylic acid

InChI: InChI=1S/C7H5Cl2NO2/c1-3-6(7(11)12)4(8)2-5(9)10-3/h2H,1H3,(H,11,12)

Composition: C (40.81%), H (2.45%), Cl (34.41%), N (6.80%), O (15.53%)

Molar Mass: 206.02

Atom Count: 17

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 204.9697338
Formal Charge 0
FSP3 0.14
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey GWYIZOFIYNAMAC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.42
Topological Polar Surface Area 50.19
Polarizability 17.55
Ring Count 1
Rotatable Bond Count 1

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