1-(3,4-dichlorophenyl)-3-pyridin-2-ylurea

C12H9Cl2N3O — CID 786649

IUPAC1-(3,4-dichlorophenyl)-3-pyridin-2-ylurea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccccn1
InChIInChI=1S/C12H9Cl2N3O/c13-9-5-4-8(7-10(9)14)16-12(18)17-11-3-1-2-6-15-11/h1-7H,(H2,15,16,17,18)
InChIKeyAYESWZOXRIYADI-UHFFFAOYSA-N
MW282.13 g/mol
LogP4.03
Rot. Bonds2

About 1-(3,4-dichlorophenyl)-3-pyridin-2-ylurea

1-(3,4-dichlorophenyl)-3-pyridin-2-ylurea (PubChem CID 786649) has the molecular formula C12H9Cl2N3O and a molecular weight of 282.13 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-pyridin-2-ylurea
PubChem CID786649
Molecular FormulaC12H9Cl2N3O
Molecular Weight282.13 g/mol
Exact Mass281.01
IUPAC Name1-(3,4-dichlorophenyl)-3-pyridin-2-ylurea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccccn1
InChIInChI=1S/C12H9Cl2N3O/c13-9-5-4-8(7-10(9)14)16-12(18)17-11-3-1-2-6-15-11/h1-7H,(H2,15,16,17,18)
InChIKeyAYESWZOXRIYADI-UHFFFAOYSA-N
XLogP4.03
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-pyridin-2-ylurea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-pyridin-2-ylurea (CID 786649) is 1-(3,4-dichlorophenyl)-3-pyridin-2-ylurea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-pyridin-2-ylurea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-pyridin-2-ylurea is O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccccn1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-pyridin-2-ylurea?
The InChIKey is AYESWZOXRIYADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O/c13-9-5-4-8(7-10(9)14)16-12(18)17-11-3-1-2-6-15-11/h1-7H,(H2,15,16,17,18).
What are the key properties of 1-(3,4-dichlorophenyl)-3-pyridin-2-ylurea?
1-(3,4-dichlorophenyl)-3-pyridin-2-ylurea has a molecular weight of 282.13 g/mol, XLogP of 4.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-pyridin-2-ylurea is sourced from PubChem (CID 786649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).