tert-butyl N-[3-(6-fluoro-2-pyridinyl)prop-2-enyl]carbamate

C13H17FN2O2 — CID 169466951

IUPACtert-butyl N-[3-(6-fluoro-2-pyridinyl)prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC=Cc1cccc(F)n1
InChIInChI=1S/C13H17FN2O2/c1-13(2,3)18-12(17)15-9-5-7-10-6-4-8-11(14)16-10/h4-8H,9H2,1-3H3,(H,15,17)
InChIKeyXUZVLTUKFRLFGF-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.76
Rot. Bonds3

About tert-butyl N-[3-(6-fluoro-2-pyridinyl)prop-2-enyl]carbamate

tert-butyl N-[3-(6-fluoro-2-pyridinyl)prop-2-enyl]carbamate (PubChem CID 169466951) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is tert-butyl N-[3-(6-fluoro-2-pyridinyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(6-fluoro-2-pyridinyl)prop-2-enyl]carbamate
PubChem CID169466951
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Nametert-butyl N-[3-(6-fluoro-2-pyridinyl)prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC=Cc1cccc(F)n1
InChIInChI=1S/C13H17FN2O2/c1-13(2,3)18-12(17)15-9-5-7-10-6-4-8-11(14)16-10/h4-8H,9H2,1-3H3,(H,15,17)
InChIKeyXUZVLTUKFRLFGF-UHFFFAOYSA-N
XLogP2.76
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.76
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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Related Compounds

tert-butyl N-[3-(6-acetyl-2-pyridinyl)prop-2-enyl]carbamate
CID 169467597
tert-butyl N-[3-(3-amino-6-fluoro-2-pyridinyl)prop-2-enyl]carbamate
CID 169467128
tert-butyl N-[(E)-3-(4-fluorophenyl)prop-2-enyl]carbamate
CID 102440441
tert-butyl N-[3-(6-chloropyridazin-3-yl)prop-2-enyl]carbamate
CID 169468523
tert-butyl N-[3-(2-amino-3-fluorophenyl)prop-2-enyl]carbamate
CID 169467187
methyl 3-[(E)-3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]benzoate
CID 171809039
tert-butyl N-[3-(3-amino-6-methoxy-2-pyridinyl)prop-2-enyl]carbamate
CID 169467480
tert-butyl N-[3-(2,3,5,6-tetrafluorophenyl)prop-2-enyl]carbamate
CID 169467729
tert-butyl N-[3-(5-aminopyrazin-2-yl)prop-2-enyl]carbamate
CID 169467001
2-fluoro-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]benzoic acid
CID 169467747
tert-butyl N-[3-[3-(methylaminomethyl)phenyl]prop-2-enyl]carbamate
CID 169467521
methyl 2-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenyl]acetate
CID 169468041

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(6-fluoro-2-pyridinyl)prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[3-(6-fluoro-2-pyridinyl)prop-2-enyl]carbamate (CID 169466951) is tert-butyl N-[3-(6-fluoro-2-pyridinyl)prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(6-fluoro-2-pyridinyl)prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(6-fluoro-2-pyridinyl)prop-2-enyl]carbamate is CC(C)(C)OC(=O)NCC=Cc1cccc(F)n1.
What is the InChIKey of tert-butyl N-[3-(6-fluoro-2-pyridinyl)prop-2-enyl]carbamate?
The InChIKey is XUZVLTUKFRLFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-13(2,3)18-12(17)15-9-5-7-10-6-4-8-11(14)16-10/h4-8H,9H2,1-3H3,(H,15,17).
What are the key properties of tert-butyl N-[3-(6-fluoro-2-pyridinyl)prop-2-enyl]carbamate?
tert-butyl N-[3-(6-fluoro-2-pyridinyl)prop-2-enyl]carbamate has a molecular weight of 252.29 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(6-fluoro-2-pyridinyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169466951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).