2-[4-(tert-butoxycarbonyl)phenyl]-6-methoxypyridine-4-carboxylic acid

2-[4-(tert-butoxycarbonyl)phenyl]-6-methoxypyridine-4-carboxylic acid

CAS: 1370448-72-8

Formula: C18H19NO5

SMILES: COC1=CC(=CC(=N1)C1=CC=C(C=C1)C(=O)OC(C)(C)C)C(O)=O

IUPAC: 2-{4-[(tert-butoxy)carbonyl]phenyl}-6-methoxypyridine-4-carboxylic acid

InChI: InChI=1S/C18H19NO5/c1-18(2,3)24-17(22)12-7-5-11(6-8-12)14-9-13(16(20)21)10-15(19-14)23-4/h5-10H,1-4H3,(H,20,21)

Composition: C (65.64%), H (5.82%), N (4.25%), O (24.29%)

Molar Mass: 329.352

Atom Count: 43

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	329.126322716
Formal Charge	0
FSP3	0.28
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	QSMNPQNQLGVTIP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	88.53
Topological Polar Surface Area	85.72
Polarizability	35.18
Ring Count	2
Rotatable Bond Count	6

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