tert-butyl N-(1-bromo-2H-pyridin-4-yl)carbamate

C10H15BrN2O2 — CID 90715360

IUPACtert-butyl N-(1-bromo-2H-pyridin-4-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1=CCN(Br)C=C1
InChIInChI=1S/C10H15BrN2O2/c1-10(2,3)15-9(14)12-8-4-6-13(11)7-5-8/h4-6H,7H2,1-3H3,(H,12,14)
InChIKeyUZCWYVZYORBSDR-UHFFFAOYSA-N
MW275.15 g/mol
LogP2.53
Rot. Bonds1

About tert-butyl N-(1-bromo-2H-pyridin-4-yl)carbamate

tert-butyl N-(1-bromo-2H-pyridin-4-yl)carbamate (PubChem CID 90715360) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is tert-butyl N-(1-bromo-2H-pyridin-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-bromo-2H-pyridin-4-yl)carbamate
PubChem CID90715360
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC Nametert-butyl N-(1-bromo-2H-pyridin-4-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1=CCN(Br)C=C1
InChIInChI=1S/C10H15BrN2O2/c1-10(2,3)15-9(14)12-8-4-6-13(11)7-5-8/h4-6H,7H2,1-3H3,(H,12,14)
InChIKeyUZCWYVZYORBSDR-UHFFFAOYSA-N
XLogP2.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-bromo-2H-pyridin-4-yl)carbamate?
The IUPAC name of tert-butyl N-(1-bromo-2H-pyridin-4-yl)carbamate (CID 90715360) is tert-butyl N-(1-bromo-2H-pyridin-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-bromo-2H-pyridin-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-bromo-2H-pyridin-4-yl)carbamate is CC(C)(C)OC(=O)NC1=CCN(Br)C=C1.
What is the InChIKey of tert-butyl N-(1-bromo-2H-pyridin-4-yl)carbamate?
The InChIKey is UZCWYVZYORBSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2/c1-10(2,3)15-9(14)12-8-4-6-13(11)7-5-8/h4-6H,7H2,1-3H3,(H,12,14).
What are the key properties of tert-butyl N-(1-bromo-2H-pyridin-4-yl)carbamate?
tert-butyl N-(1-bromo-2H-pyridin-4-yl)carbamate has a molecular weight of 275.15 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-bromo-2H-pyridin-4-yl)carbamate is sourced from PubChem (CID 90715360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).