1-(4-chlorophenyl)-3-pyridin-2-ylurea

C12H10ClN3O — CID 769416

IUPAC1-(4-chlorophenyl)-3-pyridin-2-ylurea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccccn1
InChIInChI=1S/C12H10ClN3O/c13-9-4-6-10(7-5-9)15-12(17)16-11-3-1-2-8-14-11/h1-8H,(H2,14,15,16,17)
InChIKeyKATKJPXWRKSTEY-UHFFFAOYSA-N
MW247.69 g/mol
LogP3.38
Rot. Bonds2

About 1-(4-chlorophenyl)-3-pyridin-2-ylurea

1-(4-chlorophenyl)-3-pyridin-2-ylurea (PubChem CID 769416) has the molecular formula C12H10ClN3O and a molecular weight of 247.69 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-pyridin-2-ylurea
PubChem CID769416
Molecular FormulaC12H10ClN3O
Molecular Weight247.69 g/mol
Exact Mass247.05
IUPAC Name1-(4-chlorophenyl)-3-pyridin-2-ylurea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccccn1
InChIInChI=1S/C12H10ClN3O/c13-9-4-6-10(7-5-9)15-12(17)16-11-3-1-2-8-14-11/h1-8H,(H2,14,15,16,17)
InChIKeyKATKJPXWRKSTEY-UHFFFAOYSA-N
XLogP3.38
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-pyridin-2-ylurea?
The IUPAC name of 1-(4-chlorophenyl)-3-pyridin-2-ylurea (CID 769416) is 1-(4-chlorophenyl)-3-pyridin-2-ylurea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-pyridin-2-ylurea?
The canonical SMILES for 1-(4-chlorophenyl)-3-pyridin-2-ylurea is O=C(Nc1ccc(Cl)cc1)Nc1ccccn1.
What is the InChIKey of 1-(4-chlorophenyl)-3-pyridin-2-ylurea?
The InChIKey is KATKJPXWRKSTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O/c13-9-4-6-10(7-5-9)15-12(17)16-11-3-1-2-8-14-11/h1-8H,(H2,14,15,16,17).
What are the key properties of 1-(4-chlorophenyl)-3-pyridin-2-ylurea?
1-(4-chlorophenyl)-3-pyridin-2-ylurea has a molecular weight of 247.69 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-pyridin-2-ylurea is sourced from PubChem (CID 769416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).