tert-butyl N-(5-bromo-4,6-dimethyl-3-pyridinyl)carbamate;ethane

C14H23BrN2O2 — CID 142447480

IUPACtert-butyl N-(5-bromo-4,6-dimethyl-3-pyridinyl)carbamate;ethane
SMILESCC.Cc1ncc(NC(=O)OC(C)(C)C)c(C)c1Br
InChIInChI=1S/C12H17BrN2O2.C2H6/c1-7-9(6-14-8(2)10(7)13)15-11(16)17-12(3,4)5;1-2/h6H,1-5H3,(H,15,16);1-2H3
InChIKeyHTKGIBFVLLBSQX-UHFFFAOYSA-N
MW331.25 g/mol
LogP4.83
Rot. Bonds1

About tert-butyl N-(5-bromo-4,6-dimethyl-3-pyridinyl)carbamate;ethane

tert-butyl N-(5-bromo-4,6-dimethyl-3-pyridinyl)carbamate;ethane (PubChem CID 142447480) has the molecular formula C14H23BrN2O2 and a molecular weight of 331.25 g/mol. Its IUPAC name is tert-butyl N-(5-bromo-4,6-dimethyl-3-pyridinyl)carbamate;ethane.

Molecular Properties

Compound Nametert-butyl N-(5-bromo-4,6-dimethyl-3-pyridinyl)carbamate;ethane
PubChem CID142447480
Molecular FormulaC14H23BrN2O2
Molecular Weight331.25 g/mol
Exact Mass330.09
IUPAC Nametert-butyl N-(5-bromo-4,6-dimethyl-3-pyridinyl)carbamate;ethane
SMILESCC.Cc1ncc(NC(=O)OC(C)(C)C)c(C)c1Br
InChIInChI=1S/C12H17BrN2O2.C2H6/c1-7-9(6-14-8(2)10(7)13)15-11(16)17-12(3,4)5;1-2/h6H,1-5H3,(H,15,16);1-2H3
InChIKeyHTKGIBFVLLBSQX-UHFFFAOYSA-N
XLogP4.83
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(5-fluoro-4,6-dimethyl-3-pyridinyl)carbamate;ethane
CID 156715468
tert-butyl N-[5-chloro-4-methyl-6-(trifluoromethyl)-3-pyridinyl]carbamate;ethane
CID 156715413
tert-butyl N-(2-bromo-5-hydroxy-4-pyridinyl)carbamate
CID 155702377
tert-butyl N-[5-methoxy-4-methyl-6-(trifluoromethyl)-3-pyridinyl]carbamate;ethane
CID 156715354
tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate
CID 75487739
tert-butyl N-(5-amino-4-methyl-3-pyridinyl)carbamate
CID 133060985
tert-butyl N-(6-bromo-4-formyl-3-pyridinyl)carbamate
CID 130115138
tert-butyl N-[6-bromo-4-(hydroxymethyl)-3-pyridinyl]carbamate
CID 133056033
ethyl 6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 58563500
tert-butyl N-(5-bromo-2,3-difluoro-4-methylphenyl)carbamate
CID 169077590
tert-butyl N-(5-bromo-1-methylpyrazol-4-yl)carbamate
CID 146155648
tert-butyl N-(2-bromo-5-nitro-4-pyridinyl)carbamate
CID 155389995

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-bromo-4,6-dimethyl-3-pyridinyl)carbamate;ethane?
The IUPAC name of tert-butyl N-(5-bromo-4,6-dimethyl-3-pyridinyl)carbamate;ethane (CID 142447480) is tert-butyl N-(5-bromo-4,6-dimethyl-3-pyridinyl)carbamate;ethane.
What is the SMILES notation for tert-butyl N-(5-bromo-4,6-dimethyl-3-pyridinyl)carbamate;ethane?
The canonical SMILES for tert-butyl N-(5-bromo-4,6-dimethyl-3-pyridinyl)carbamate;ethane is CC.Cc1ncc(NC(=O)OC(C)(C)C)c(C)c1Br.
What is the InChIKey of tert-butyl N-(5-bromo-4,6-dimethyl-3-pyridinyl)carbamate;ethane?
The InChIKey is HTKGIBFVLLBSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2.C2H6/c1-7-9(6-14-8(2)10(7)13)15-11(16)17-12(3,4)5;1-2/h6H,1-5H3,(H,15,16);1-2H3.
What are the key properties of tert-butyl N-(5-bromo-4,6-dimethyl-3-pyridinyl)carbamate;ethane?
tert-butyl N-(5-bromo-4,6-dimethyl-3-pyridinyl)carbamate;ethane has a molecular weight of 331.25 g/mol, XLogP of 4.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-bromo-4,6-dimethyl-3-pyridinyl)carbamate;ethane is sourced from PubChem (CID 142447480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).