cyclobutyl N-(6-bromo-2-pyridinyl)carbamate

C10H11BrN2O2 — CID 130640494

IUPACcyclobutyl N-(6-bromo-2-pyridinyl)carbamate
SMILESO=C(Nc1cccc(Br)n1)OC1CCC1
InChIInChI=1S/C10H11BrN2O2/c11-8-5-2-6-9(12-8)13-10(14)15-7-3-1-4-7/h2,5-7H,1,3-4H2,(H,12,13,14)
InChIKeyDTMONUJYSWKSGZ-UHFFFAOYSA-N
MW271.11 g/mol
LogP2.95
Rot. Bonds2

About cyclobutyl N-(6-bromo-2-pyridinyl)carbamate

cyclobutyl N-(6-bromo-2-pyridinyl)carbamate (PubChem CID 130640494) has the molecular formula C10H11BrN2O2 and a molecular weight of 271.11 g/mol. Its IUPAC name is cyclobutyl N-(6-bromo-2-pyridinyl)carbamate.

Molecular Properties

Compound Namecyclobutyl N-(6-bromo-2-pyridinyl)carbamate
PubChem CID130640494
Molecular FormulaC10H11BrN2O2
Molecular Weight271.11 g/mol
Exact Mass270.00
IUPAC Namecyclobutyl N-(6-bromo-2-pyridinyl)carbamate
SMILESO=C(Nc1cccc(Br)n1)OC1CCC1
InChIInChI=1S/C10H11BrN2O2/c11-8-5-2-6-9(12-8)13-10(14)15-7-3-1-4-7/h2,5-7H,1,3-4H2,(H,12,13,14)
InChIKeyDTMONUJYSWKSGZ-UHFFFAOYSA-N
XLogP2.95
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 52.95
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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Frequently Asked Questions

What is the IUPAC name of cyclobutyl N-(6-bromo-2-pyridinyl)carbamate?
The IUPAC name of cyclobutyl N-(6-bromo-2-pyridinyl)carbamate (CID 130640494) is cyclobutyl N-(6-bromo-2-pyridinyl)carbamate.
What is the SMILES notation for cyclobutyl N-(6-bromo-2-pyridinyl)carbamate?
The canonical SMILES for cyclobutyl N-(6-bromo-2-pyridinyl)carbamate is O=C(Nc1cccc(Br)n1)OC1CCC1.
What is the InChIKey of cyclobutyl N-(6-bromo-2-pyridinyl)carbamate?
The InChIKey is DTMONUJYSWKSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2/c11-8-5-2-6-9(12-8)13-10(14)15-7-3-1-4-7/h2,5-7H,1,3-4H2,(H,12,13,14).
What are the key properties of cyclobutyl N-(6-bromo-2-pyridinyl)carbamate?
cyclobutyl N-(6-bromo-2-pyridinyl)carbamate has a molecular weight of 271.11 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl N-(6-bromo-2-pyridinyl)carbamate is sourced from PubChem (CID 130640494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).