methyl N-(6-fluoro-3-pyridinyl)-N-hydroxycarbamate

C7H7FN2O3 — CID 121278895

IUPACmethyl N-(6-fluoro-3-pyridinyl)-N-hydroxycarbamate
SMILESCOC(=O)N(O)c1ccc(F)nc1
InChIInChI=1S/C7H7FN2O3/c1-13-7(11)10(12)5-2-3-6(8)9-4-5/h2-4,12H,1H3
InChIKeyFFSWEFHISOIHEW-UHFFFAOYSA-N
MW186.14 g/mol
LogP1.18
Rot. Bonds1

About methyl N-(6-fluoro-3-pyridinyl)-N-hydroxycarbamate

methyl N-(6-fluoro-3-pyridinyl)-N-hydroxycarbamate (PubChem CID 121278895) has the molecular formula C7H7FN2O3 and a molecular weight of 186.14 g/mol. Its IUPAC name is methyl N-(6-fluoro-3-pyridinyl)-N-hydroxycarbamate.

Molecular Properties

Compound Namemethyl N-(6-fluoro-3-pyridinyl)-N-hydroxycarbamate
PubChem CID121278895
Molecular FormulaC7H7FN2O3
Molecular Weight186.14 g/mol
Exact Mass186.04
IUPAC Namemethyl N-(6-fluoro-3-pyridinyl)-N-hydroxycarbamate
SMILESCOC(=O)N(O)c1ccc(F)nc1
InChIInChI=1S/C7H7FN2O3/c1-13-7(11)10(12)5-2-3-6(8)9-4-5/h2-4,12H,1H3
InChIKeyFFSWEFHISOIHEW-UHFFFAOYSA-N
XLogP1.18
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.14
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-(6-fluoro-3-pyridinyl)-N-hydroxycarbamate?
The IUPAC name of methyl N-(6-fluoro-3-pyridinyl)-N-hydroxycarbamate (CID 121278895) is methyl N-(6-fluoro-3-pyridinyl)-N-hydroxycarbamate.
What is the SMILES notation for methyl N-(6-fluoro-3-pyridinyl)-N-hydroxycarbamate?
The canonical SMILES for methyl N-(6-fluoro-3-pyridinyl)-N-hydroxycarbamate is COC(=O)N(O)c1ccc(F)nc1.
What is the InChIKey of methyl N-(6-fluoro-3-pyridinyl)-N-hydroxycarbamate?
The InChIKey is FFSWEFHISOIHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O3/c1-13-7(11)10(12)5-2-3-6(8)9-4-5/h2-4,12H,1H3.
What are the key properties of methyl N-(6-fluoro-3-pyridinyl)-N-hydroxycarbamate?
methyl N-(6-fluoro-3-pyridinyl)-N-hydroxycarbamate has a molecular weight of 186.14 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(6-fluoro-3-pyridinyl)-N-hydroxycarbamate is sourced from PubChem (CID 121278895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).