1-(2,6-difluoro-3-pyridinyl)-3-(4-hydroxyphenyl)urea

C12H9F2N3O2 — CID 146129337

IUPAC1-(2,6-difluoro-3-pyridinyl)-3-(4-hydroxyphenyl)urea
SMILESO=C(Nc1ccc(O)cc1)Nc1ccc(F)nc1F
InChIInChI=1S/C12H9F2N3O2/c13-10-6-5-9(11(14)17-10)16-12(19)15-7-1-3-8(18)4-2-7/h1-6,18H,(H2,15,16,19)
InChIKeyDRMZEHCFOVIWLP-UHFFFAOYSA-N
MW265.22 g/mol
LogP2.71
Rot. Bonds2

About 1-(2,6-difluoro-3-pyridinyl)-3-(4-hydroxyphenyl)urea

1-(2,6-difluoro-3-pyridinyl)-3-(4-hydroxyphenyl)urea (PubChem CID 146129337) has the molecular formula C12H9F2N3O2 and a molecular weight of 265.22 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-pyridinyl)-3-(4-hydroxyphenyl)urea.

Molecular Properties

Compound Name1-(2,6-difluoro-3-pyridinyl)-3-(4-hydroxyphenyl)urea
PubChem CID146129337
Molecular FormulaC12H9F2N3O2
Molecular Weight265.22 g/mol
Exact Mass265.07
IUPAC Name1-(2,6-difluoro-3-pyridinyl)-3-(4-hydroxyphenyl)urea
SMILESO=C(Nc1ccc(O)cc1)Nc1ccc(F)nc1F
InChIInChI=1S/C12H9F2N3O2/c13-10-6-5-9(11(14)17-10)16-12(19)15-7-1-3-8(18)4-2-7/h1-6,18H,(H2,15,16,19)
InChIKeyDRMZEHCFOVIWLP-UHFFFAOYSA-N
XLogP2.71
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-difluoro-3-pyridinyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 103097715
N-(2,6-difluoro-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 103097885
1-(4-fluorophenyl)-3-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]urea
CID 71496034
N-(2,6-difluoro-3-pyridinyl)-4-methylbenzamide
CID 103097809
1-(3,4-dichlorophenyl)-3-(4-hydroxyphenyl)urea
CID 639709
N-(2,6-difluoro-3-pyridinyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 103098002
1-[3-fluoro-4-[(S)-methylsulfinyl]phenyl]-3-(4-hydroxyphenyl)urea
CID 99787019
1-(6-bromo-2-methyl-3-pyridinyl)-3-(4-fluorophenyl)urea
CID 166636722
1-(2-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 64788337
1-(3,5-difluoro-4-methoxyphenyl)-3-(4-hydroxyphenyl)urea
CID 99787005
N-(2,6-difluoro-3-pyridinyl)-1-phenylcyclopropane-1-carboxamide
CID 99792370
2,4-dichloro-N-(2,6-difluoro-3-pyridinyl)benzamide
CID 103097683

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-pyridinyl)-3-(4-hydroxyphenyl)urea?
The IUPAC name of 1-(2,6-difluoro-3-pyridinyl)-3-(4-hydroxyphenyl)urea (CID 146129337) is 1-(2,6-difluoro-3-pyridinyl)-3-(4-hydroxyphenyl)urea.
What is the SMILES notation for 1-(2,6-difluoro-3-pyridinyl)-3-(4-hydroxyphenyl)urea?
The canonical SMILES for 1-(2,6-difluoro-3-pyridinyl)-3-(4-hydroxyphenyl)urea is O=C(Nc1ccc(O)cc1)Nc1ccc(F)nc1F.
What is the InChIKey of 1-(2,6-difluoro-3-pyridinyl)-3-(4-hydroxyphenyl)urea?
The InChIKey is DRMZEHCFOVIWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3O2/c13-10-6-5-9(11(14)17-10)16-12(19)15-7-1-3-8(18)4-2-7/h1-6,18H,(H2,15,16,19).
What are the key properties of 1-(2,6-difluoro-3-pyridinyl)-3-(4-hydroxyphenyl)urea?
1-(2,6-difluoro-3-pyridinyl)-3-(4-hydroxyphenyl)urea has a molecular weight of 265.22 g/mol, XLogP of 2.71, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-pyridinyl)-3-(4-hydroxyphenyl)urea is sourced from PubChem (CID 146129337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).