methyl 5-(dimethylphosphoryl)pyrazine-2-carboxylate

methyl 5-(dimethylphosphoryl)pyrazine-2-carboxylate

CAS: 2551120-61-5

Formula: C8H11N2O3P

SMILES: COC(=O)C1=CN=C(C=N1)P(C)(C)=O

IUPAC: methyl 5-(dimethylphosphoryl)pyrazine-2-carboxylate

InChI: InChI=1S/C8H11N2O3P/c1-13-8(11)6-4-10-7(5-9-6)14(2,3)12/h4-5H,1-3H3

Composition: C (44.87%), H (5.18%), N (13.08%), O (22.41%), P (14.46%)

Molar Mass: 214.161

Atom Count: 25

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	214.05072922
Formal Charge	0
FSP3	0.37
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	HWDPCFPLWMHTJR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.33
Topological Polar Surface Area	69.15
Polarizability	20.02
Ring Count	1
Rotatable Bond Count	3

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