tert-butyl (2R)-2-(5-bromo-2-pyridinyl)cyclopropane-1-carboxylate

C13H16BrNO2 — CID 170358870

IUPACtert-butyl (2R)-2-(5-bromo-2-pyridinyl)cyclopropane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1C[C@H]1c1ccc(Br)cn1
InChIInChI=1S/C13H16BrNO2/c1-13(2,3)17-12(16)10-6-9(10)11-5-4-8(14)7-15-11/h4-5,7,9-10H,6H2,1-3H3/t9-,10?/m1/s1
InChIKeyZIGHTKTXOLBUIW-YHMJZVADSA-N
MW298.18 g/mol
LogP3.29
Rot. Bonds2

About tert-butyl (2R)-2-(5-bromo-2-pyridinyl)cyclopropane-1-carboxylate

tert-butyl (2R)-2-(5-bromo-2-pyridinyl)cyclopropane-1-carboxylate (PubChem CID 170358870) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is tert-butyl (2R)-2-(5-bromo-2-pyridinyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(5-bromo-2-pyridinyl)cyclopropane-1-carboxylate
PubChem CID170358870
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Nametert-butyl (2R)-2-(5-bromo-2-pyridinyl)cyclopropane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1C[C@H]1c1ccc(Br)cn1
InChIInChI=1S/C13H16BrNO2/c1-13(2,3)17-12(16)10-6-9(10)11-5-4-8(14)7-15-11/h4-5,7,9-10H,6H2,1-3H3/t9-,10?/m1/s1
InChIKeyZIGHTKTXOLBUIW-YHMJZVADSA-N
XLogP3.29
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(5-bromo-2-pyridinyl)cyclopropane-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-(5-bromo-2-pyridinyl)cyclopropane-1-carboxylate (CID 170358870) is tert-butyl (2R)-2-(5-bromo-2-pyridinyl)cyclopropane-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-(5-bromo-2-pyridinyl)cyclopropane-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-(5-bromo-2-pyridinyl)cyclopropane-1-carboxylate is CC(C)(C)OC(=O)C1C[C@H]1c1ccc(Br)cn1.
What is the InChIKey of tert-butyl (2R)-2-(5-bromo-2-pyridinyl)cyclopropane-1-carboxylate?
The InChIKey is ZIGHTKTXOLBUIW-YHMJZVADSA-N. The full InChI is InChI=1S/C13H16BrNO2/c1-13(2,3)17-12(16)10-6-9(10)11-5-4-8(14)7-15-11/h4-5,7,9-10H,6H2,1-3H3/t9-,10?/m1/s1.
What are the key properties of tert-butyl (2R)-2-(5-bromo-2-pyridinyl)cyclopropane-1-carboxylate?
tert-butyl (2R)-2-(5-bromo-2-pyridinyl)cyclopropane-1-carboxylate has a molecular weight of 298.18 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(5-bromo-2-pyridinyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 170358870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).