1-(3-chloro-4-hydroxyphenyl)-3-(3-fluoro-4-pyridinyl)urea

C12H9ClFN3O2 — CID 99832161

IUPAC1-(3-chloro-4-hydroxyphenyl)-3-(3-fluoro-4-pyridinyl)urea
SMILESO=C(Nc1ccc(O)c(Cl)c1)Nc1ccncc1F
InChIInChI=1S/C12H9ClFN3O2/c13-8-5-7(1-2-11(8)18)16-12(19)17-10-3-4-15-6-9(10)14/h1-6,18H,(H2,15,16,17,19)
InChIKeyHLPOFPKTBREBCU-UHFFFAOYSA-N
MW281.67 g/mol
LogP3.22
Rot. Bonds2

About 1-(3-chloro-4-hydroxyphenyl)-3-(3-fluoro-4-pyridinyl)urea

1-(3-chloro-4-hydroxyphenyl)-3-(3-fluoro-4-pyridinyl)urea (PubChem CID 99832161) has the molecular formula C12H9ClFN3O2 and a molecular weight of 281.67 g/mol. Its IUPAC name is 1-(3-chloro-4-hydroxyphenyl)-3-(3-fluoro-4-pyridinyl)urea.

Molecular Properties

Compound Name1-(3-chloro-4-hydroxyphenyl)-3-(3-fluoro-4-pyridinyl)urea
PubChem CID99832161
Molecular FormulaC12H9ClFN3O2
Molecular Weight281.67 g/mol
Exact Mass281.04
IUPAC Name1-(3-chloro-4-hydroxyphenyl)-3-(3-fluoro-4-pyridinyl)urea
SMILESO=C(Nc1ccc(O)c(Cl)c1)Nc1ccncc1F
InChIInChI=1S/C12H9ClFN3O2/c13-8-5-7(1-2-11(8)18)16-12(19)17-10-3-4-15-6-9(10)14/h1-6,18H,(H2,15,16,17,19)
InChIKeyHLPOFPKTBREBCU-UHFFFAOYSA-N
XLogP3.22
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 64788304
1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyphenyl)urea
CID 108871538
1-(3-fluoro-4-pyridinyl)-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 107595364
2,6-dichloro-N-(3-fluoro-4-pyridinyl)pyridine-4-carboxamide
CID 113342448
1-(3-chloro-4-hydroxyphenyl)-3-(3-chloro-4-methylphenyl)urea
CID 64787332
1-(5-chloro-2-hydroxyphenyl)-3-pyridin-4-ylurea
CID 108892711
4-chloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 81233431
2-(2-chlorophenyl)-N-(3-fluoro-4-pyridinyl)acetamide
CID 122156122
1-(3-chloro-4-hydroxyphenyl)-3-(1,3-thiazol-2-yl)urea
CID 99831962
2,2-difluoro-N-(3-fluoro-4-pyridinyl)acetamide
CID 107595585
N-(3-fluoro-4-pyridinyl)-2-(2-hydroxyphenyl)acetamide
CID 113342447
1-(2-amino-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 107698053

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-hydroxyphenyl)-3-(3-fluoro-4-pyridinyl)urea?
The IUPAC name of 1-(3-chloro-4-hydroxyphenyl)-3-(3-fluoro-4-pyridinyl)urea (CID 99832161) is 1-(3-chloro-4-hydroxyphenyl)-3-(3-fluoro-4-pyridinyl)urea.
What is the SMILES notation for 1-(3-chloro-4-hydroxyphenyl)-3-(3-fluoro-4-pyridinyl)urea?
The canonical SMILES for 1-(3-chloro-4-hydroxyphenyl)-3-(3-fluoro-4-pyridinyl)urea is O=C(Nc1ccc(O)c(Cl)c1)Nc1ccncc1F.
What is the InChIKey of 1-(3-chloro-4-hydroxyphenyl)-3-(3-fluoro-4-pyridinyl)urea?
The InChIKey is HLPOFPKTBREBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O2/c13-8-5-7(1-2-11(8)18)16-12(19)17-10-3-4-15-6-9(10)14/h1-6,18H,(H2,15,16,17,19).
What are the key properties of 1-(3-chloro-4-hydroxyphenyl)-3-(3-fluoro-4-pyridinyl)urea?
1-(3-chloro-4-hydroxyphenyl)-3-(3-fluoro-4-pyridinyl)urea has a molecular weight of 281.67 g/mol, XLogP of 3.22, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-hydroxyphenyl)-3-(3-fluoro-4-pyridinyl)urea is sourced from PubChem (CID 99832161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).