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methyl 2-amino-6-chloropyridine-3-carboxylate

methyl 2-amino-6-chloropyridine-3-carboxylate

CAS: 849805-25-0

Formula: C7H7ClN2O2

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

IUPAC: methyl 2-amino-6-chloropyridine-3-carboxylate

InChI: InChI=1S/C7H7ClN2O2/c1-12-7(11)4-2-3-5(8)10-6(4)9/h2-3H,1H3,(H2,9,10)

Composition: C (45.06%), H (3.78%), Cl (19.00%), N (15.01%), O (17.15%)

Molar Mass: 186.6

Atom Count: 19

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 186.0196052
Formal Charge 0
FSP3 0.14
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey JEIXBBIBJBCFBI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.81
Topological Polar Surface Area 65.21
Polarizability 17.03
Ring Count 1
Rotatable Bond Count 2

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