tert-butyl N-(5-nitropyridin-3-yl)carbamate

tert-butyl N-(5-nitropyridin-3-yl)carbamate

CAS: 1824279-53-9

Formula: C10H13N3O4

SMILES: CC(C)(C)OC(=O)NC1=CN=CC(=C1)[N+]([O-])=O

IUPAC: tert-butyl N-(5-nitropyridin-3-yl)carbamate

InChI: InChI=1S/C10H13N3O4/c1-10(2,3)17-9(14)12-7-4-8(13(15)16)6-11-5-7/h4-6H,1-3H3,(H,12,14)

Composition: C (50.21%), H (5.48%), N (17.57%), O (26.75%)

Molar Mass: 239.231

Atom Count: 30

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	239.090605911
Formal Charge	0
FSP3	0.4
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	LGMWSJLUOKYYLH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.51
Topological Polar Surface Area	94.36
Polarizability	22.51
Ring Count	1
Rotatable Bond Count	4

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