1-(3,4-dichlorophenyl)-3-(3-hydroxy-2-pyridinyl)urea

C12H9Cl2N3O2 — CID 57399898

IUPAC1-(3,4-dichlorophenyl)-3-(3-hydroxy-2-pyridinyl)urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Nc1ncccc1O
InChIInChI=1S/C12H9Cl2N3O2/c13-8-4-3-7(6-9(8)14)16-12(19)17-11-10(18)2-1-5-15-11/h1-6,18H,(H2,15,16,17,19)
InChIKeyUIJHNVXRUYASNO-UHFFFAOYSA-N
MW298.13 g/mol
LogP3.74
Rot. Bonds2

About 1-(3,4-dichlorophenyl)-3-(3-hydroxy-2-pyridinyl)urea

1-(3,4-dichlorophenyl)-3-(3-hydroxy-2-pyridinyl)urea (PubChem CID 57399898) has the molecular formula C12H9Cl2N3O2 and a molecular weight of 298.13 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(3-hydroxy-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(3-hydroxy-2-pyridinyl)urea
PubChem CID57399898
Molecular FormulaC12H9Cl2N3O2
Molecular Weight298.13 g/mol
Exact Mass297.01
IUPAC Name1-(3,4-dichlorophenyl)-3-(3-hydroxy-2-pyridinyl)urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Nc1ncccc1O
InChIInChI=1S/C12H9Cl2N3O2/c13-8-4-3-7(6-9(8)14)16-12(19)17-11-10(18)2-1-5-15-11/h1-6,18H,(H2,15,16,17,19)
InChIKeyUIJHNVXRUYASNO-UHFFFAOYSA-N
XLogP3.74
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(3-hydroxy-2-pyridinyl)urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(3-hydroxy-2-pyridinyl)urea (CID 57399898) is 1-(3,4-dichlorophenyl)-3-(3-hydroxy-2-pyridinyl)urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(3-hydroxy-2-pyridinyl)urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(3-hydroxy-2-pyridinyl)urea is O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ncccc1O.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(3-hydroxy-2-pyridinyl)urea?
The InChIKey is UIJHNVXRUYASNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O2/c13-8-4-3-7(6-9(8)14)16-12(19)17-11-10(18)2-1-5-15-11/h1-6,18H,(H2,15,16,17,19).
What are the key properties of 1-(3,4-dichlorophenyl)-3-(3-hydroxy-2-pyridinyl)urea?
1-(3,4-dichlorophenyl)-3-(3-hydroxy-2-pyridinyl)urea has a molecular weight of 298.13 g/mol, XLogP of 3.74, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(3-hydroxy-2-pyridinyl)urea is sourced from PubChem (CID 57399898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).