(2,4-difluoro-3-hydroxyphenyl)-[6-(2-fluoro-3-hydroxyphenyl)-2-pyridinyl]methanone

C18H10F3NO3 — CID 134145364

IUPAC(2,4-difluoro-3-hydroxyphenyl)-[6-(2-fluoro-3-hydroxyphenyl)-2-pyridinyl]methanone
SMILESO=C(c1cccc(-c2cccc(O)c2F)n1)c1ccc(F)c(O)c1F
InChIInChI=1S/C18H10F3NO3/c19-11-8-7-10(16(21)18(11)25)17(24)13-5-2-4-12(22-13)9-3-1-6-14(23)15(9)20/h1-8,23,25H
InChIKeyRBODGLPEPYXYOF-UHFFFAOYSA-N
MW345.28 g/mol
LogP3.81
Rot. Bonds3

About (2,4-difluoro-3-hydroxyphenyl)-[6-(2-fluoro-3-hydroxyphenyl)-2-pyridinyl]methanone

(2,4-difluoro-3-hydroxyphenyl)-[6-(2-fluoro-3-hydroxyphenyl)-2-pyridinyl]methanone (PubChem CID 134145364) has the molecular formula C18H10F3NO3 and a molecular weight of 345.28 g/mol. Its IUPAC name is (2,4-difluoro-3-hydroxyphenyl)-[6-(2-fluoro-3-hydroxyphenyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(2,4-difluoro-3-hydroxyphenyl)-[6-(2-fluoro-3-hydroxyphenyl)-2-pyridinyl]methanone
PubChem CID134145364
Molecular FormulaC18H10F3NO3
Molecular Weight345.28 g/mol
Exact Mass345.06
IUPAC Name(2,4-difluoro-3-hydroxyphenyl)-[6-(2-fluoro-3-hydroxyphenyl)-2-pyridinyl]methanone
SMILESO=C(c1cccc(-c2cccc(O)c2F)n1)c1ccc(F)c(O)c1F
InChIInChI=1S/C18H10F3NO3/c19-11-8-7-10(16(21)18(11)25)17(24)13-5-2-4-12(22-13)9-3-1-6-14(23)15(9)20/h1-8,23,25H
InChIKeyRBODGLPEPYXYOF-UHFFFAOYSA-N
XLogP3.81
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,4-difluoro-3-hydroxyphenyl)-[6-(2-fluoro-3-hydroxyphenyl)-2-pyridinyl]methanone?
The IUPAC name of (2,4-difluoro-3-hydroxyphenyl)-[6-(2-fluoro-3-hydroxyphenyl)-2-pyridinyl]methanone (CID 134145364) is (2,4-difluoro-3-hydroxyphenyl)-[6-(2-fluoro-3-hydroxyphenyl)-2-pyridinyl]methanone.
What is the SMILES notation for (2,4-difluoro-3-hydroxyphenyl)-[6-(2-fluoro-3-hydroxyphenyl)-2-pyridinyl]methanone?
The canonical SMILES for (2,4-difluoro-3-hydroxyphenyl)-[6-(2-fluoro-3-hydroxyphenyl)-2-pyridinyl]methanone is O=C(c1cccc(-c2cccc(O)c2F)n1)c1ccc(F)c(O)c1F.
What is the InChIKey of (2,4-difluoro-3-hydroxyphenyl)-[6-(2-fluoro-3-hydroxyphenyl)-2-pyridinyl]methanone?
The InChIKey is RBODGLPEPYXYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F3NO3/c19-11-8-7-10(16(21)18(11)25)17(24)13-5-2-4-12(22-13)9-3-1-6-14(23)15(9)20/h1-8,23,25H.
What are the key properties of (2,4-difluoro-3-hydroxyphenyl)-[6-(2-fluoro-3-hydroxyphenyl)-2-pyridinyl]methanone?
(2,4-difluoro-3-hydroxyphenyl)-[6-(2-fluoro-3-hydroxyphenyl)-2-pyridinyl]methanone has a molecular weight of 345.28 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluoro-3-hydroxyphenyl)-[6-(2-fluoro-3-hydroxyphenyl)-2-pyridinyl]methanone is sourced from PubChem (CID 134145364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).