tert-butyl N-(6-fluoro-3-pyridinyl)carbamate

C10H13FN2O2 — CID 11031143

IUPACtert-butyl N-(6-fluoro-3-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(F)nc1
InChIInChI=1S/C10H13FN2O2/c1-10(2,3)15-9(14)13-7-4-5-8(11)12-6-7/h4-6H,1-3H3,(H,13,14)
InChIKeyFXGNEIOGSGKPFL-UHFFFAOYSA-N
MW212.22 g/mol
LogP2.57
Rot. Bonds1

About tert-butyl N-(6-fluoro-3-pyridinyl)carbamate

tert-butyl N-(6-fluoro-3-pyridinyl)carbamate (PubChem CID 11031143) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is tert-butyl N-(6-fluoro-3-pyridinyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-fluoro-3-pyridinyl)carbamate
PubChem CID11031143
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Nametert-butyl N-(6-fluoro-3-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(F)nc1
InChIInChI=1S/C10H13FN2O2/c1-10(2,3)15-9(14)13-7-4-5-8(11)12-6-7/h4-6H,1-3H3,(H,13,14)
InChIKeyFXGNEIOGSGKPFL-UHFFFAOYSA-N
XLogP2.57
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 52.57
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 tert-butyl N-(6-fluoro-3-pyridinyl)carbamate?
The IUPAC name of tert-butyl N-(6-fluoro-3-pyridinyl)carbamate (CID 11031143) is tert-butyl N-(6-fluoro-3-pyridinyl)carbamate.
What is the SMILES notation for tert-butyl N-(6-fluoro-3-pyridinyl)carbamate?
The canonical SMILES for tert-butyl N-(6-fluoro-3-pyridinyl)carbamate is CC(C)(C)OC(=O)Nc1ccc(F)nc1.
What is the InChIKey of tert-butyl N-(6-fluoro-3-pyridinyl)carbamate?
The InChIKey is FXGNEIOGSGKPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c1-10(2,3)15-9(14)13-7-4-5-8(11)12-6-7/h4-6H,1-3H3,(H,13,14).
What are the key properties of tert-butyl N-(6-fluoro-3-pyridinyl)carbamate?
tert-butyl N-(6-fluoro-3-pyridinyl)carbamate has a molecular weight of 212.22 g/mol, XLogP of 2.57, 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-fluoro-3-pyridinyl)carbamate is sourced from PubChem (CID 11031143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).