1-(5-chloro-2-pyridinyl)-3-(2-fluorophenyl)urea

C12H9ClFN3O — CID 901016

IUPAC1-(5-chloro-2-pyridinyl)-3-(2-fluorophenyl)urea
SMILESO=C(Nc1ccc(Cl)cn1)Nc1ccccc1F
InChIInChI=1S/C12H9ClFN3O/c13-8-5-6-11(15-7-8)17-12(18)16-10-4-2-1-3-9(10)14/h1-7H,(H2,15,16,17,18)
InChIKeyOXVBHSXGJAFVAU-UHFFFAOYSA-N
MW265.68 g/mol
LogP3.52
Rot. Bonds2

About 1-(5-chloro-2-pyridinyl)-3-(2-fluorophenyl)urea

1-(5-chloro-2-pyridinyl)-3-(2-fluorophenyl)urea (PubChem CID 901016) has the molecular formula C12H9ClFN3O and a molecular weight of 265.68 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-3-(2-fluorophenyl)urea
PubChem CID901016
Molecular FormulaC12H9ClFN3O
Molecular Weight265.68 g/mol
Exact Mass265.04
IUPAC Name1-(5-chloro-2-pyridinyl)-3-(2-fluorophenyl)urea
SMILESO=C(Nc1ccc(Cl)cn1)Nc1ccccc1F
InChIInChI=1S/C12H9ClFN3O/c13-8-5-6-11(15-7-8)17-12(18)16-10-4-2-1-3-9(10)14/h1-7H,(H2,15,16,17,18)
InChIKeyOXVBHSXGJAFVAU-UHFFFAOYSA-N
XLogP3.52
TPSA54.02 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 ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(5-chloro-2-pyridinyl)-3-[2-(2-fluorophenyl)ethyl]urea
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1-(2-chlorophenyl)-3-(5-iodo-2-pyridinyl)urea
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1-benzhydryl-3-(5-chloro-2-pyridinyl)urea
CID 108867612
1-[(2-bromophenyl)methyl]-3-(5-chloro-2-pyridinyl)urea
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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-3-(2-fluorophenyl)urea?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-3-(2-fluorophenyl)urea (CID 901016) is 1-(5-chloro-2-pyridinyl)-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-3-(2-fluorophenyl)urea is O=C(Nc1ccc(Cl)cn1)Nc1ccccc1F.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-3-(2-fluorophenyl)urea?
The InChIKey is OXVBHSXGJAFVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O/c13-8-5-6-11(15-7-8)17-12(18)16-10-4-2-1-3-9(10)14/h1-7H,(H2,15,16,17,18).
What are the key properties of 1-(5-chloro-2-pyridinyl)-3-(2-fluorophenyl)urea?
1-(5-chloro-2-pyridinyl)-3-(2-fluorophenyl)urea has a molecular weight of 265.68 g/mol, XLogP of 3.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-3-(2-fluorophenyl)urea is sourced from PubChem (CID 901016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).