[(6-fluoro-2-pyridinyl)amino]urea

C6H7FN4O — CID 1478413

IUPAC[(6-fluoro-2-pyridinyl)amino]urea
SMILESNC(=O)NNc1cccc(F)n1
InChIInChI=1S/C6H7FN4O/c7-4-2-1-3-5(9-4)10-11-6(8)12/h1-3H,(H,9,10)(H3,8,11,12)
InChIKeyLBQXBGCPOXMFGY-UHFFFAOYSA-N
MW170.15 g/mol
LogP0.22
Rot. Bonds2

About [(6-fluoro-2-pyridinyl)amino]urea

[(6-fluoro-2-pyridinyl)amino]urea (PubChem CID 1478413) has the molecular formula C6H7FN4O and a molecular weight of 170.15 g/mol. Its IUPAC name is [(6-fluoro-2-pyridinyl)amino]urea.

Molecular Properties

Compound Name[(6-fluoro-2-pyridinyl)amino]urea
PubChem CID1478413
Molecular FormulaC6H7FN4O
Molecular Weight170.15 g/mol
Exact Mass170.06
IUPAC Name[(6-fluoro-2-pyridinyl)amino]urea
SMILESNC(=O)NNc1cccc(F)n1
InChIInChI=1S/C6H7FN4O/c7-4-2-1-3-5(9-4)10-11-6(8)12/h1-3H,(H,9,10)(H3,8,11,12)
InChIKeyLBQXBGCPOXMFGY-UHFFFAOYSA-N
XLogP0.22
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.15
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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 [(6-fluoro-2-pyridinyl)amino]urea?
The IUPAC name of [(6-fluoro-2-pyridinyl)amino]urea (CID 1478413) is [(6-fluoro-2-pyridinyl)amino]urea.
What is the SMILES notation for [(6-fluoro-2-pyridinyl)amino]urea?
The canonical SMILES for [(6-fluoro-2-pyridinyl)amino]urea is NC(=O)NNc1cccc(F)n1.
What is the InChIKey of [(6-fluoro-2-pyridinyl)amino]urea?
The InChIKey is LBQXBGCPOXMFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN4O/c7-4-2-1-3-5(9-4)10-11-6(8)12/h1-3H,(H,9,10)(H3,8,11,12).
What are the key properties of [(6-fluoro-2-pyridinyl)amino]urea?
[(6-fluoro-2-pyridinyl)amino]urea has a molecular weight of 170.15 g/mol, XLogP of 0.22, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6-fluoro-2-pyridinyl)amino]urea is sourced from PubChem (CID 1478413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).