[5-fluoro-6-(2-methoxyethoxy)-3-pyridinyl] N-tert-butylcarbamate

C13H19FN2O4 — CID 150799200

IUPAC[5-fluoro-6-(2-methoxyethoxy)-3-pyridinyl] N-tert-butylcarbamate
SMILESCOCCOc1ncc(OC(=O)NC(C)(C)C)cc1F
InChIInChI=1S/C13H19FN2O4/c1-13(2,3)16-12(17)20-9-7-10(14)11(15-8-9)19-6-5-18-4/h7-8H,5-6H2,1-4H3,(H,16,17)
InChIKeyKFMHOEKHPCHOGX-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.13
Rot. Bonds5

About [5-fluoro-6-(2-methoxyethoxy)-3-pyridinyl] N-tert-butylcarbamate

[5-fluoro-6-(2-methoxyethoxy)-3-pyridinyl] N-tert-butylcarbamate (PubChem CID 150799200) has the molecular formula C13H19FN2O4 and a molecular weight of 286.30 g/mol. Its IUPAC name is [5-fluoro-6-(2-methoxyethoxy)-3-pyridinyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[5-fluoro-6-(2-methoxyethoxy)-3-pyridinyl] N-tert-butylcarbamate
PubChem CID150799200
Molecular FormulaC13H19FN2O4
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name[5-fluoro-6-(2-methoxyethoxy)-3-pyridinyl] N-tert-butylcarbamate
SMILESCOCCOc1ncc(OC(=O)NC(C)(C)C)cc1F
InChIInChI=1S/C13H19FN2O4/c1-13(2,3)16-12(17)20-9-7-10(14)11(15-8-9)19-6-5-18-4/h7-8H,5-6H2,1-4H3,(H,16,17)
InChIKeyKFMHOEKHPCHOGX-UHFFFAOYSA-N
XLogP2.13
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-6-(2-methoxyethoxy)-3-pyridinyl] N-tert-butylcarbamate?
The IUPAC name of [5-fluoro-6-(2-methoxyethoxy)-3-pyridinyl] N-tert-butylcarbamate (CID 150799200) is [5-fluoro-6-(2-methoxyethoxy)-3-pyridinyl] N-tert-butylcarbamate.
What is the SMILES notation for [5-fluoro-6-(2-methoxyethoxy)-3-pyridinyl] N-tert-butylcarbamate?
The canonical SMILES for [5-fluoro-6-(2-methoxyethoxy)-3-pyridinyl] N-tert-butylcarbamate is COCCOc1ncc(OC(=O)NC(C)(C)C)cc1F.
What is the InChIKey of [5-fluoro-6-(2-methoxyethoxy)-3-pyridinyl] N-tert-butylcarbamate?
The InChIKey is KFMHOEKHPCHOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O4/c1-13(2,3)16-12(17)20-9-7-10(14)11(15-8-9)19-6-5-18-4/h7-8H,5-6H2,1-4H3,(H,16,17).
What are the key properties of [5-fluoro-6-(2-methoxyethoxy)-3-pyridinyl] N-tert-butylcarbamate?
[5-fluoro-6-(2-methoxyethoxy)-3-pyridinyl] N-tert-butylcarbamate has a molecular weight of 286.30 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-6-(2-methoxyethoxy)-3-pyridinyl] N-tert-butylcarbamate is sourced from PubChem (CID 150799200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).