1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-hydroxy-2-pyridinyl)urea

C13H9ClF3N3O2 — CID 56835092

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-hydroxy-2-pyridinyl)urea
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ncccc1O
InChIInChI=1S/C13H9ClF3N3O2/c14-9-4-3-7(6-8(9)13(15,16)17)19-12(22)20-11-10(21)2-1-5-18-11/h1-6,21H,(H2,18,19,20,22)
InChIKeyWUMXJFOYZAORBK-UHFFFAOYSA-N
MW331.68 g/mol
LogP4.10
Rot. Bonds2

About 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-hydroxy-2-pyridinyl)urea

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-hydroxy-2-pyridinyl)urea (PubChem CID 56835092) has the molecular formula C13H9ClF3N3O2 and a molecular weight of 331.68 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-hydroxy-2-pyridinyl)urea.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-hydroxy-2-pyridinyl)urea
PubChem CID56835092
Molecular FormulaC13H9ClF3N3O2
Molecular Weight331.68 g/mol
Exact Mass331.03
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-hydroxy-2-pyridinyl)urea
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ncccc1O
InChIInChI=1S/C13H9ClF3N3O2/c14-9-4-3-7(6-8(9)13(15,16)17)19-12(22)20-11-10(21)2-1-5-18-11/h1-6,21H,(H2,18,19,20,22)
InChIKeyWUMXJFOYZAORBK-UHFFFAOYSA-N
XLogP4.10
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.68
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-hydroxy-2-pyridinyl)urea?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-hydroxy-2-pyridinyl)urea (CID 56835092) is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-hydroxy-2-pyridinyl)urea.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-hydroxy-2-pyridinyl)urea?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-hydroxy-2-pyridinyl)urea is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ncccc1O.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-hydroxy-2-pyridinyl)urea?
The InChIKey is WUMXJFOYZAORBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3N3O2/c14-9-4-3-7(6-8(9)13(15,16)17)19-12(22)20-11-10(21)2-1-5-18-11/h1-6,21H,(H2,18,19,20,22).
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-hydroxy-2-pyridinyl)urea?
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-hydroxy-2-pyridinyl)urea has a molecular weight of 331.68 g/mol, XLogP of 4.10, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-hydroxy-2-pyridinyl)urea is sourced from PubChem (CID 56835092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).