AG00G2UK

848308-47-4 | 5-[(tert-Butoxycarbonyl)amino]pyridine-2-carboxylic acid

AG00G2UK

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CAS Number	848308-47-4
Catalog Number	AG00G2UK(AGN-PC-05F9UX)
Chemical Name	5-[(tert-Butoxycarbonyl)amino]pyridine-2-carboxylic acid
IUPAC Name	5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid
InChI	InChI=1S/C11H14N2O4/c1-11(2,3)17-10(16)13-7-4-5-8(9(14)15)12-6-7/h4-6H,1-3H3,(H,13,16)(H,14,15)
InChI Key	QTHQRNWVCRIQCR-UHFFFAOYSA-N
MDL Number	MFCD09991768
Molecular Formula	C11H14N2O4
Molecular Weight	238.2399
SMILES	O=C(O)C1=NC=C(NC(OC(C)(C)C)=O)C=C1
Synonyms	848308-47-4, 5-((tert-Butoxycarbonyl)amino)picolinic acid, 5-BOC-AMINO-2-PYRIDINECARBOXYLIC ACID, 5-[(tert-Butoxycarbonyl)amino]pyridine-2-carboxylic acid, 5-{[(tert-butoxy)carbonyl]amino}pyridine-2-carboxylic acid, SCHEMBL1734048, CTK7G9126, KS-00000QNQ, DTXSID10651749, QTHQRNWVCRIQCR-UHFFFAOYSA-N, 3072AC, ANW-71186, MFCD09991768, SBB052881, ZINC20357753, AKOS016008023, AB55694, AJ-77165, AK104585, SC-13215, TS-00696, TC-159931, ST24044156, TERT-BUTYL (6-CARBOXYPYRIDIN)3-YLCARBAMATE, 5-[(tert-butoxy)carbonylamino]pyridine-2-carboxylic acid, Z1741972893, 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid, 5-[[(1,1-dimethylethoxy)carbonyl]amino]-2-pyridinecarboxylic acid, 2-Pyridinecarboxylic acid, 5-[[(1,1-dimethylethoxy)carbonyl]amino]-, C11H14N2O4,

Complexity	298
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	238.095g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	238.243g/mol
Monoisotopic Mass	238.095g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	88.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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