1-(5-fluoro-3-methyl-2-pyridinyl)-3-methoxyurea

C8H10FN3O2 — CID 134178068

IUPAC1-(5-fluoro-3-methyl-2-pyridinyl)-3-methoxyurea
SMILESCONC(=O)Nc1ncc(F)cc1C
InChIInChI=1S/C8H10FN3O2/c1-5-3-6(9)4-10-7(5)11-8(13)12-14-2/h3-4H,1-2H3,(H2,10,11,12,13)
InChIKeyMLAFBRRGIPAEHV-UHFFFAOYSA-N
MW199.19 g/mol
LogP1.21
Rot. Bonds2

About 1-(5-fluoro-3-methyl-2-pyridinyl)-3-methoxyurea

1-(5-fluoro-3-methyl-2-pyridinyl)-3-methoxyurea (PubChem CID 134178068) has the molecular formula C8H10FN3O2 and a molecular weight of 199.19 g/mol. Its IUPAC name is 1-(5-fluoro-3-methyl-2-pyridinyl)-3-methoxyurea.

Molecular Properties

Compound Name1-(5-fluoro-3-methyl-2-pyridinyl)-3-methoxyurea
PubChem CID134178068
Molecular FormulaC8H10FN3O2
Molecular Weight199.19 g/mol
Exact Mass199.08
IUPAC Name1-(5-fluoro-3-methyl-2-pyridinyl)-3-methoxyurea
SMILESCONC(=O)Nc1ncc(F)cc1C
InChIInChI=1S/C8H10FN3O2/c1-5-3-6(9)4-10-7(5)11-8(13)12-14-2/h3-4H,1-2H3,(H2,10,11,12,13)
InChIKeyMLAFBRRGIPAEHV-UHFFFAOYSA-N
XLogP1.21
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.19
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-methyl-2-pyridinyl)-3-methoxyurea?
The IUPAC name of 1-(5-fluoro-3-methyl-2-pyridinyl)-3-methoxyurea (CID 134178068) is 1-(5-fluoro-3-methyl-2-pyridinyl)-3-methoxyurea.
What is the SMILES notation for 1-(5-fluoro-3-methyl-2-pyridinyl)-3-methoxyurea?
The canonical SMILES for 1-(5-fluoro-3-methyl-2-pyridinyl)-3-methoxyurea is CONC(=O)Nc1ncc(F)cc1C.
What is the InChIKey of 1-(5-fluoro-3-methyl-2-pyridinyl)-3-methoxyurea?
The InChIKey is MLAFBRRGIPAEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O2/c1-5-3-6(9)4-10-7(5)11-8(13)12-14-2/h3-4H,1-2H3,(H2,10,11,12,13).
What are the key properties of 1-(5-fluoro-3-methyl-2-pyridinyl)-3-methoxyurea?
1-(5-fluoro-3-methyl-2-pyridinyl)-3-methoxyurea has a molecular weight of 199.19 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-methyl-2-pyridinyl)-3-methoxyurea is sourced from PubChem (CID 134178068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).