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methyl 2,6-dichloro-3-(methylamino)pyridine-4-carboxylate

methyl 2,6-dichloro-3-(methylamino)pyridine-4-carboxylate

CAS: 1418117-91-5

Formula: C8H8Cl2N2O2

SMILES: CNC1=C(Cl)N=C(Cl)C=C1C(=O)OC

IUPAC: methyl 2,6-dichloro-3-(methylamino)pyridine-4-carboxylate

InChI: InChI=1S/C8H8Cl2N2O2/c1-11-6-4(8(13)14-2)3-5(9)12-7(6)10/h3,11H,1-2H3

Composition: C (40.88%), H (3.43%), Cl (30.16%), N (11.92%), O (13.61%)

Molar Mass: 235.06

Atom Count: 22

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 233.9962829
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey JRUXBJRCWKJHPR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.85
Topological Polar Surface Area 51.22
Polarizability 20.86
Ring Count 1
Rotatable Bond Count 3

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