[6-chloro-5-(4-fluorophenyl)-2-pyridinyl]urea

C12H9ClFN3O — CID 54319105

IUPAC[6-chloro-5-(4-fluorophenyl)-2-pyridinyl]urea
SMILESNC(=O)Nc1ccc(-c2ccc(F)cc2)c(Cl)n1
InChIInChI=1S/C12H9ClFN3O/c13-11-9(7-1-3-8(14)4-2-7)5-6-10(16-11)17-12(15)18/h1-6H,(H3,15,16,17,18)
InChIKeySQIUQGPTPBUJBH-UHFFFAOYSA-N
MW265.68 g/mol
LogP3.03
Rot. Bonds2

About [6-chloro-5-(4-fluorophenyl)-2-pyridinyl]urea

[6-chloro-5-(4-fluorophenyl)-2-pyridinyl]urea (PubChem CID 54319105) has the molecular formula C12H9ClFN3O and a molecular weight of 265.68 g/mol. Its IUPAC name is [6-chloro-5-(4-fluorophenyl)-2-pyridinyl]urea.

Molecular Properties

Compound Name[6-chloro-5-(4-fluorophenyl)-2-pyridinyl]urea
PubChem CID54319105
Molecular FormulaC12H9ClFN3O
Molecular Weight265.68 g/mol
Exact Mass265.04
IUPAC Name[6-chloro-5-(4-fluorophenyl)-2-pyridinyl]urea
SMILESNC(=O)Nc1ccc(-c2ccc(F)cc2)c(Cl)n1
InChIInChI=1S/C12H9ClFN3O/c13-11-9(7-1-3-8(14)4-2-7)5-6-10(16-11)17-12(15)18/h1-6H,(H3,15,16,17,18)
InChIKeySQIUQGPTPBUJBH-UHFFFAOYSA-N
XLogP3.03
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.68
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 [6-chloro-5-(4-fluorophenyl)-2-pyridinyl]urea?
The IUPAC name of [6-chloro-5-(4-fluorophenyl)-2-pyridinyl]urea (CID 54319105) is [6-chloro-5-(4-fluorophenyl)-2-pyridinyl]urea.
What is the SMILES notation for [6-chloro-5-(4-fluorophenyl)-2-pyridinyl]urea?
The canonical SMILES for [6-chloro-5-(4-fluorophenyl)-2-pyridinyl]urea is NC(=O)Nc1ccc(-c2ccc(F)cc2)c(Cl)n1.
What is the InChIKey of [6-chloro-5-(4-fluorophenyl)-2-pyridinyl]urea?
The InChIKey is SQIUQGPTPBUJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O/c13-11-9(7-1-3-8(14)4-2-7)5-6-10(16-11)17-12(15)18/h1-6H,(H3,15,16,17,18).
What are the key properties of [6-chloro-5-(4-fluorophenyl)-2-pyridinyl]urea?
[6-chloro-5-(4-fluorophenyl)-2-pyridinyl]urea has a molecular weight of 265.68 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-5-(4-fluorophenyl)-2-pyridinyl]urea is sourced from PubChem (CID 54319105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).