methyl 6-amino-4-chloropyridine-3-carboxylate

methyl 6-amino-4-chloropyridine-3-carboxylate

CAS: 1260666-60-1

Formula: C7H7ClN2O2

SMILES: COC(=O)C1=CN=C(N)C=C1Cl

IUPAC: methyl 6-amino-4-chloropyridine-3-carboxylate

InChI: InChI=1S/C7H7ClN2O2/c1-12-7(11)4-3-10-6(9)2-5(4)8/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	RSKUVDYTGIDYLE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.75
Topological Polar Surface Area	65.21
Polarizability	16.99
Ring Count	1
Rotatable Bond Count	2

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