methyl 3-amino-5-chloropyrazine-2-carboxylate

methyl 3-amino-5-chloropyrazine-2-carboxylate

CAS: 28643-16-5

Formula: C6H6ClN3O2

SMILES: COC(=O)C1=NC=C(Cl)N=C1N

IUPAC: methyl 3-amino-5-chloropyrazine-2-carboxylate

InChI: InChI=1S/C6H6ClN3O2/c1-12-6(11)4-5(8)10-3(7)2-9-4/h2H,1H3,(H2,8,10)

Composition: C (38.42%), H (3.22%), Cl (18.90%), N (22.40%), O (17.06%)

Molar Mass: 187.58

Atom Count: 18

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	187.0148541
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	XWKQJSXIVZCCKK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.28
Topological Polar Surface Area	78.1
Polarizability	16.24
Ring Count	1
Rotatable Bond Count	2

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