tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate

C11H15BrN2O2 — CID 75487739

IUPACtert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate
SMILESCc1nc(Br)ccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H15BrN2O2/c1-7-8(5-6-9(12)13-7)14-10(15)16-11(2,3)4/h5-6H,1-4H3,(H,14,15)
InChIKeyXDJLPKFWEQUMFO-UHFFFAOYSA-N
MW287.16 g/mol
LogP3.50
Rot. Bonds1

About tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate

tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate (PubChem CID 75487739) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate
PubChem CID75487739
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Nametert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate
SMILESCc1nc(Br)ccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H15BrN2O2/c1-7-8(5-6-9(12)13-7)14-10(15)16-11(2,3)4/h5-6H,1-4H3,(H,14,15)
InChIKeyXDJLPKFWEQUMFO-UHFFFAOYSA-N
XLogP3.50
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(6-amino-2-methyl-3-pyridinyl)carbamate
CID 82342800
tert-butyl N-[6-methyl-5-(methylamino)-2-pyridinyl]carbamate
CID 19358376
tert-butyl N-[6-bromo-2-methyl-5-(trifluoromethyl)-3-pyridinyl]carbamate
CID 169136684
tert-butyl N-(2,6-dibromo-4-pyridinyl)carbamate
CID 121232345
tert-butyl N-(5-bromo-4,6-dimethyl-3-pyridinyl)carbamate;ethane
CID 142447480
tert-butyl N-(5-bromo-[1,3]oxazolo[4,5-b]pyridin-2-yl)carbamate
CID 126700782
tert-butyl N-(6-chloro-2-iodo-3-pyridinyl)carbamate
CID 90341107
tert-butyl N-(4-bromo-2-fluorophenyl)carbamate
CID 22736228
3-methyl-5-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylic acid
CID 162377851
tert-butyl N-[6-(5-cyano-3-pyridinyl)-2-methyl-3-pyridinyl]carbamate
CID 130471260
tert-butyl N-(3,6-dimethylpyridazin-4-yl)carbamate
CID 130934096
tert-butyl N-(2-bromo-4-methylsulfanylphenyl)carbamate
CID 167736245

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate?
The IUPAC name of tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate (CID 75487739) is tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate.
What is the SMILES notation for tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate?
The canonical SMILES for tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate is Cc1nc(Br)ccc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate?
The InChIKey is XDJLPKFWEQUMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-7-8(5-6-9(12)13-7)14-10(15)16-11(2,3)4/h5-6H,1-4H3,(H,14,15).
What are the key properties of tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate?
tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate has a molecular weight of 287.16 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate is sourced from PubChem (CID 75487739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).