[4-(6-fluoro-3-pyridinyl)-2-pyridinyl]urea

C11H9FN4O — CID 68805754

IUPAC[4-(6-fluoro-3-pyridinyl)-2-pyridinyl]urea
SMILESNC(=O)Nc1cc(-c2ccc(F)nc2)ccn1
InChIInChI=1S/C11H9FN4O/c12-9-2-1-8(6-15-9)7-3-4-14-10(5-7)16-11(13)17/h1-6H,(H3,13,14,16,17)
InChIKeyKDUHUPSDFIFRJF-UHFFFAOYSA-N
MW232.22 g/mol
LogP1.77
Rot. Bonds2

About [4-(6-fluoro-3-pyridinyl)-2-pyridinyl]urea

[4-(6-fluoro-3-pyridinyl)-2-pyridinyl]urea (PubChem CID 68805754) has the molecular formula C11H9FN4O and a molecular weight of 232.22 g/mol. Its IUPAC name is [4-(6-fluoro-3-pyridinyl)-2-pyridinyl]urea.

Molecular Properties

Compound Name[4-(6-fluoro-3-pyridinyl)-2-pyridinyl]urea
PubChem CID68805754
Molecular FormulaC11H9FN4O
Molecular Weight232.22 g/mol
Exact Mass232.08
IUPAC Name[4-(6-fluoro-3-pyridinyl)-2-pyridinyl]urea
SMILESNC(=O)Nc1cc(-c2ccc(F)nc2)ccn1
InChIInChI=1S/C11H9FN4O/c12-9-2-1-8(6-15-9)7-3-4-14-10(5-7)16-11(13)17/h1-6H,(H3,13,14,16,17)
InChIKeyKDUHUPSDFIFRJF-UHFFFAOYSA-N
XLogP1.77
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.22
LogP ≤ 51.77
H-Bond Donors ≤ 52
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 [4-(6-fluoro-3-pyridinyl)-2-pyridinyl]urea?
The IUPAC name of [4-(6-fluoro-3-pyridinyl)-2-pyridinyl]urea (CID 68805754) is [4-(6-fluoro-3-pyridinyl)-2-pyridinyl]urea.
What is the SMILES notation for [4-(6-fluoro-3-pyridinyl)-2-pyridinyl]urea?
The canonical SMILES for [4-(6-fluoro-3-pyridinyl)-2-pyridinyl]urea is NC(=O)Nc1cc(-c2ccc(F)nc2)ccn1.
What is the InChIKey of [4-(6-fluoro-3-pyridinyl)-2-pyridinyl]urea?
The InChIKey is KDUHUPSDFIFRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4O/c12-9-2-1-8(6-15-9)7-3-4-14-10(5-7)16-11(13)17/h1-6H,(H3,13,14,16,17).
What are the key properties of [4-(6-fluoro-3-pyridinyl)-2-pyridinyl]urea?
[4-(6-fluoro-3-pyridinyl)-2-pyridinyl]urea has a molecular weight of 232.22 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-fluoro-3-pyridinyl)-2-pyridinyl]urea is sourced from PubChem (CID 68805754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).