1-[3,5-bis(trifluoromethyl)phenyl]-3-(3-hydroxy-2-pyridinyl)urea

C14H9F6N3O2 — CID 57398245

IUPAC1-[3,5-bis(trifluoromethyl)phenyl]-3-(3-hydroxy-2-pyridinyl)urea
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ncccc1O
InChIInChI=1S/C14H9F6N3O2/c15-13(16,17)7-4-8(14(18,19)20)6-9(5-7)22-12(25)23-11-10(24)2-1-3-21-11/h1-6,24H,(H2,21,22,23,25)
InChIKeyMDWMDWYQCNWIET-UHFFFAOYSA-N
MW365.23 g/mol
LogP4.47
Rot. Bonds2

About 1-[3,5-bis(trifluoromethyl)phenyl]-3-(3-hydroxy-2-pyridinyl)urea

1-[3,5-bis(trifluoromethyl)phenyl]-3-(3-hydroxy-2-pyridinyl)urea (PubChem CID 57398245) has the molecular formula C14H9F6N3O2 and a molecular weight of 365.23 g/mol. Its IUPAC name is 1-[3,5-bis(trifluoromethyl)phenyl]-3-(3-hydroxy-2-pyridinyl)urea.

Molecular Properties

Compound Name1-[3,5-bis(trifluoromethyl)phenyl]-3-(3-hydroxy-2-pyridinyl)urea
PubChem CID57398245
Molecular FormulaC14H9F6N3O2
Molecular Weight365.23 g/mol
Exact Mass365.06
IUPAC Name1-[3,5-bis(trifluoromethyl)phenyl]-3-(3-hydroxy-2-pyridinyl)urea
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ncccc1O
InChIInChI=1S/C14H9F6N3O2/c15-13(16,17)7-4-8(14(18,19)20)6-9(5-7)22-12(25)23-11-10(24)2-1-3-21-11/h1-6,24H,(H2,21,22,23,25)
InChIKeyMDWMDWYQCNWIET-UHFFFAOYSA-N
XLogP4.47
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]-3-(3-hydroxy-2-pyridinyl)urea?
The IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]-3-(3-hydroxy-2-pyridinyl)urea (CID 57398245) is 1-[3,5-bis(trifluoromethyl)phenyl]-3-(3-hydroxy-2-pyridinyl)urea.
What is the SMILES notation for 1-[3,5-bis(trifluoromethyl)phenyl]-3-(3-hydroxy-2-pyridinyl)urea?
The canonical SMILES for 1-[3,5-bis(trifluoromethyl)phenyl]-3-(3-hydroxy-2-pyridinyl)urea is O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ncccc1O.
What is the InChIKey of 1-[3,5-bis(trifluoromethyl)phenyl]-3-(3-hydroxy-2-pyridinyl)urea?
The InChIKey is MDWMDWYQCNWIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6N3O2/c15-13(16,17)7-4-8(14(18,19)20)6-9(5-7)22-12(25)23-11-10(24)2-1-3-21-11/h1-6,24H,(H2,21,22,23,25).
What are the key properties of 1-[3,5-bis(trifluoromethyl)phenyl]-3-(3-hydroxy-2-pyridinyl)urea?
1-[3,5-bis(trifluoromethyl)phenyl]-3-(3-hydroxy-2-pyridinyl)urea has a molecular weight of 365.23 g/mol, XLogP of 4.47, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(trifluoromethyl)phenyl]-3-(3-hydroxy-2-pyridinyl)urea is sourced from PubChem (CID 57398245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).