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ethyl 2,6-dichloro-5-methylpyridine-3-carboxylate

ethyl 2,6-dichloro-5-methylpyridine-3-carboxylate

CAS: 137520-86-6

Formula: C9H9Cl2NO2

SMILES: CCOC(=O)C1=C(Cl)N=C(Cl)C(C)=C1

IUPAC: ethyl 2,6-dichloro-5-methylpyridine-3-carboxylate

InChI: InChI=1S/C9H9Cl2NO2/c1-3-14-9(13)6-4-5(2)7(10)12-8(6)11/h4H,3H2,1-2H3

Composition: C (46.18%), H (3.88%), Cl (30.29%), N (5.98%), O (13.67%)

Molar Mass: 234.08

Atom Count: 23

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 233.0010339
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey BMJQJBGNFQXCJC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.45
Topological Polar Surface Area 39.19
Polarizability 21.46
Ring Count 1
Rotatable Bond Count 3

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