tert-butyl N-(5-bromo-2-pyridinyl)-N-methylcarbamate

C11H15BrN2O2 — CID 11196942

IUPACtert-butyl N-(5-bromo-2-pyridinyl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1ccc(Br)cn1
InChIInChI=1S/C11H15BrN2O2/c1-11(2,3)16-10(15)14(4)9-6-5-8(12)7-13-9/h5-7H,1-4H3
InChIKeyYHTZSPWLJTZRDM-UHFFFAOYSA-N
MW287.16 g/mol
LogP3.22
Rot. Bonds1

About tert-butyl N-(5-bromo-2-pyridinyl)-N-methylcarbamate

tert-butyl N-(5-bromo-2-pyridinyl)-N-methylcarbamate (PubChem CID 11196942) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is tert-butyl N-(5-bromo-2-pyridinyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(5-bromo-2-pyridinyl)-N-methylcarbamate
PubChem CID11196942
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Nametert-butyl N-(5-bromo-2-pyridinyl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1ccc(Br)cn1
InChIInChI=1S/C11H15BrN2O2/c1-11(2,3)16-10(15)14(4)9-6-5-8(12)7-13-9/h5-7H,1-4H3
InChIKeyYHTZSPWLJTZRDM-UHFFFAOYSA-N
XLogP3.22
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-bromo-2-pyridinyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(5-bromo-2-pyridinyl)-N-methylcarbamate (CID 11196942) is tert-butyl N-(5-bromo-2-pyridinyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(5-bromo-2-pyridinyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(5-bromo-2-pyridinyl)-N-methylcarbamate is CN(C(=O)OC(C)(C)C)c1ccc(Br)cn1.
What is the InChIKey of tert-butyl N-(5-bromo-2-pyridinyl)-N-methylcarbamate?
The InChIKey is YHTZSPWLJTZRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-11(2,3)16-10(15)14(4)9-6-5-8(12)7-13-9/h5-7H,1-4H3.
What are the key properties of tert-butyl N-(5-bromo-2-pyridinyl)-N-methylcarbamate?
tert-butyl N-(5-bromo-2-pyridinyl)-N-methylcarbamate has a molecular weight of 287.16 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-bromo-2-pyridinyl)-N-methylcarbamate is sourced from PubChem (CID 11196942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).