tert-butyl N-(6-acetylpyridin-3-yl)carbamate

tert-butyl N-(6-acetylpyridin-3-yl)carbamate

CAS: 858599-23-2

Formula: C12H16N2O3

SMILES: CC(=O)C1=CC=C(NC(=O)OC(C)(C)C)C=N1

IUPAC: tert-butyl N-(6-acetylpyridin-3-yl)carbamate

InChI: InChI=1S/C12H16N2O3/c1-8(15)10-6-5-9(7-13-10)14-11(16)17-12(2,3)4/h5-7H,1-4H3,(H,14,16)

Composition: C (61.00%), H (6.83%), N (11.86%), O (20.31%)

Molar Mass: 236.271

Atom Count: 33

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	236.116092383
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	ODJIEHOBOFHMEY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.22
Topological Polar Surface Area	68.29
Polarizability	24.29
Ring Count	1
Rotatable Bond Count	4

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