ethyl 2-chloro-5-nitropyridine-3-carboxylate

ethyl 2-chloro-5-nitropyridine-3-carboxylate

CAS: 151322-83-7

Formula: C8H7ClN2O4

SMILES: CCOC(=O)C1=C(Cl)N=CC(=C1)[N+]([O-])=O

IUPAC: ethyl 2-chloro-5-nitropyridine-3-carboxylate

InChI: InChI=1S/C8H7ClN2O4/c1-2-15-8(12)6-3-5(11(13)14)4-10-7(6)9/h3-4H,2H2,1H3

Composition: C (41.67%), H (3.06%), Cl (15.37%), N (12.15%), O (27.75%)

Molar Mass: 230.6

Atom Count: 22

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	230.0094344
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	OXOWYVJYDSTHGX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.86
Topological Polar Surface Area	82.33
Polarizability	19.75
Ring Count	1
Rotatable Bond Count	4

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