ethyl 2-(5-nitropyridin-2-yl)acetate

ethyl 2-(5-nitropyridin-2-yl)acetate

CAS: 174890-57-4

Formula: C9H10N2O4

SMILES: CCOC(=O)CC1=NC=C(C=C1)[N+]([O-])=O

IUPAC: ethyl 2-(5-nitropyridin-2-yl)acetate

InChI: InChI=1S/C9H10N2O4/c1-2-15-9(12)5-7-3-4-8(6-10-7)11(13)14/h3-4,6H,2,5H2,1H3

Composition: C (51.43%), H (4.80%), N (13.33%), O (30.45%)

Molar Mass: 210.189

Atom Count: 25

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	210.06405681
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	PPNKDSUNRAYOAA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.67
Topological Polar Surface Area	82.33
Polarizability	19.54
Ring Count	1
Rotatable Bond Count	5

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