tert-butyl N-(3,5-dibromo-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C15H20Br2N2O4 — CID 73213746

IUPACtert-butyl N-(3,5-dibromo-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(Br)cc1Br
InChIInChI=1S/C15H20Br2N2O4/c1-14(2,3)22-12(20)19(13(21)23-15(4,5)6)11-10(17)7-9(16)8-18-11/h7-8H,1-6H3
InChIKeyBHSOCHVPEZNPRY-UHFFFAOYSA-N
MW452.14 g/mol
LogP5.28
Rot. Bonds1

About tert-butyl N-(3,5-dibromo-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

tert-butyl N-(3,5-dibromo-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 73213746) has the molecular formula C15H20Br2N2O4 and a molecular weight of 452.14 g/mol. Its IUPAC name is tert-butyl N-(3,5-dibromo-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(3,5-dibromo-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
PubChem CID73213746
Molecular FormulaC15H20Br2N2O4
Molecular Weight452.14 g/mol
Exact Mass449.98
IUPAC Nametert-butyl N-(3,5-dibromo-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(Br)cc1Br
InChIInChI=1S/C15H20Br2N2O4/c1-14(2,3)22-12(20)19(13(21)23-15(4,5)6)11-10(17)7-9(16)8-18-11/h7-8H,1-6H3
InChIKeyBHSOCHVPEZNPRY-UHFFFAOYSA-N
XLogP5.28
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.14
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-(3,5-dibromo-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Boc-1-(5-bromo-2-pyridyl)piperazine
CID 11244775
2-(Boc-amino)-5-bromopyridine
CID 16217843
Ethyl (5-bromopyridin-2-yl)carbamate
CID 600000
tert-butyl N-(4-bromopyridin-2-yl)carbamate
CID 11680626
6-(Di-Boc-amino)-2-bromopyridine
CID 16217971
N,N-Di-Boc-2-aminopyridine
CID 16218082
N-(5-Bromo-3-methylpyridin-2-yl)-N,2,2-trimethylpropanamide
CID 18329348
tert-Butyl 4-(4-bromopyridin-2-yl)piperazine-1-carboxylate
CID 53217365
tert-Butyl (3-bromopyridin-2-yl)carbamate
CID 19704035
Tert-butyl N-(5-bromo-3-chloropyridin-2-YL)carbamate
CID 76849197
N-(5-bromo-3-methyl-2-pyridinyl)-N-methylacetamide
CID 18329347
Di-tert-butyl (5-bromopyridin-2-yl)-2-imidodicarbonate
CID 18549621

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3,5-dibromo-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The IUPAC name of tert-butyl N-(3,5-dibromo-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 73213746) is tert-butyl N-(3,5-dibromo-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
What is the SMILES notation for tert-butyl N-(3,5-dibromo-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The canonical SMILES for tert-butyl N-(3,5-dibromo-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(Br)cc1Br.
What is the InChIKey of tert-butyl N-(3,5-dibromo-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The InChIKey is BHSOCHVPEZNPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Br2N2O4/c1-14(2,3)22-12(20)19(13(21)23-15(4,5)6)11-10(17)7-9(16)8-18-11/h7-8H,1-6H3.
What are the key properties of tert-butyl N-(3,5-dibromo-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
tert-butyl N-(3,5-dibromo-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 452.14 g/mol, XLogP of 5.28, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3,5-dibromo-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 73213746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).