tert-Butyl 4-[5-Bromo-3-(methoxycarbonyl)-2-pyridinyl]tetrahydro-1(2H)-pyrazinecarboxylate - CAS 1000018-22-3

Name: tert-Butyl 4-[5-Bromo-3-(methoxycarbonyl)-2-pyridinyl]tetrahydro-1(2H)-pyrazinecarboxylate
Brand: BOC Sciences
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Catalog:	BB074087
Product Name:	tert-Butyl 4-[5-Bromo-3-(methoxycarbonyl)-2-pyridinyl]tetrahydro-1(2H)-pyrazinecarboxylate
CAS:	1000018-22-3
Synonyms:	tert-Butyl 4-(5-bromo-3-(methoxycarbonyl)pyridin-2-yl)piperazine-1-carboxylate; TERT-BUTYL 4-[5-BROMO-3-(METHOXYCARBONYL)-2-PYRIDINYL]TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE; tert-butyl 4-(5-bromo-3-methoxycarbonylpyridin-2-yl)piperazine-1-carboxylate; tert-butyl 4-[5-bromo-3-(methoxycarbonyl)pyridin-2-yl]piperazine-1-carboxylate; 1-Piperazinecarboxylic acid, 4-[5-bromo-3-(methoxycarbonyl)-2-pyridinyl]-, 1,1-dimethylethyl ester

Technical Data

Computed Properties

IUPAC Name:	tert-butyl 4-(5-bromo-3-methoxycarbonylpyridin-2-yl)piperazine-1-carboxylate
Molecular Weight:	400.26
Molecular Formula:	C16H22N3O4Br
Canonical SMILES:	CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=N2)Br)C(=O)OC
InChI:	InChI=1S/C16H22BrN3O4/c1-16(2,3)24-15(22)20-7-5-19(6-8-20)13-12(14(21)23-4)9-11(17)10-18-13/h9-10H,5-8H2,1-4H3
InChI Key:	YOCDALHJYLXODI-UHFFFAOYSA-N

Complexity:	461
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	399.07937
Formal Charge:	0
Heavy Atom Count:	24
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	399.07937
Rotatable Bond Count:	5
Topological Polar Surface Area:	72Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5

tert-Butyl 4-[5-Bromo-3-(methoxycarbonyl)-2-pyridinyl]tetrahydro-1(2H)-pyrazinecarboxylate - CAS 1000018-22-3

Technical Data

Computed Properties

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