ethyl 6-chloro-3-nitropyridine-2-carboxylate

ethyl 6-chloro-3-nitropyridine-2-carboxylate

CAS: 1805648-67-2

Formula: C8H7ClN2O4

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

IUPAC: ethyl 6-chloro-3-nitropyridine-2-carboxylate

InChI: InChI=1S/C8H7ClN2O4/c1-2-15-8(12)7-5(11(13)14)3-4-6(9)10-7/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	MUYYRHKUFWKCBU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.49
Topological Polar Surface Area	82.33
Polarizability	19.74
Ring Count	1
Rotatable Bond Count	4

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