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

C18H11F2NO3 — CID 122707109

IUPAC(4-fluoro-3-hydroxyphenyl)-[6-(2-fluoro-3-hydroxyphenyl)-2-pyridinyl]methanone
SMILESO=C(c1ccc(F)c(O)c1)c1cccc(-c2cccc(O)c2F)n1
InChIInChI=1S/C18H11F2NO3/c19-12-8-7-10(9-16(12)23)18(24)14-5-2-4-13(21-14)11-3-1-6-15(22)17(11)20/h1-9,22-23H
InChIKeyMXIARVBICPPOCG-UHFFFAOYSA-N
MW327.29 g/mol
LogP3.67
Rot. Bonds3

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

(4-fluoro-3-hydroxyphenyl)-[6-(2-fluoro-3-hydroxyphenyl)-2-pyridinyl]methanone (PubChem CID 122707109) has the molecular formula C18H11F2NO3 and a molecular weight of 327.29 g/mol. Its IUPAC name is (4-fluoro-3-hydroxyphenyl)-[6-(2-fluoro-3-hydroxyphenyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4-fluoro-3-hydroxyphenyl)-[6-(2-fluoro-3-hydroxyphenyl)-2-pyridinyl]methanone
PubChem CID122707109
Molecular FormulaC18H11F2NO3
Molecular Weight327.29 g/mol
Exact Mass327.07
IUPAC Name(4-fluoro-3-hydroxyphenyl)-[6-(2-fluoro-3-hydroxyphenyl)-2-pyridinyl]methanone
SMILESO=C(c1ccc(F)c(O)c1)c1cccc(-c2cccc(O)c2F)n1
InChIInChI=1S/C18H11F2NO3/c19-12-8-7-10(9-16(12)23)18(24)14-5-2-4-13(21-14)11-3-1-6-15(22)17(11)20/h1-9,22-23H
InChIKeyMXIARVBICPPOCG-UHFFFAOYSA-N
XLogP3.67
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-hydroxyphenyl)-[6-(2-fluoro-3-hydroxyphenyl)-2-pyridinyl]methanone?
The IUPAC name of (4-fluoro-3-hydroxyphenyl)-[6-(2-fluoro-3-hydroxyphenyl)-2-pyridinyl]methanone (CID 122707109) is (4-fluoro-3-hydroxyphenyl)-[6-(2-fluoro-3-hydroxyphenyl)-2-pyridinyl]methanone.
What is the SMILES notation for (4-fluoro-3-hydroxyphenyl)-[6-(2-fluoro-3-hydroxyphenyl)-2-pyridinyl]methanone?
The canonical SMILES for (4-fluoro-3-hydroxyphenyl)-[6-(2-fluoro-3-hydroxyphenyl)-2-pyridinyl]methanone is O=C(c1ccc(F)c(O)c1)c1cccc(-c2cccc(O)c2F)n1.
What is the InChIKey of (4-fluoro-3-hydroxyphenyl)-[6-(2-fluoro-3-hydroxyphenyl)-2-pyridinyl]methanone?
The InChIKey is MXIARVBICPPOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2NO3/c19-12-8-7-10(9-16(12)23)18(24)14-5-2-4-13(21-14)11-3-1-6-15(22)17(11)20/h1-9,22-23H.
What are the key properties of (4-fluoro-3-hydroxyphenyl)-[6-(2-fluoro-3-hydroxyphenyl)-2-pyridinyl]methanone?
(4-fluoro-3-hydroxyphenyl)-[6-(2-fluoro-3-hydroxyphenyl)-2-pyridinyl]methanone has a molecular weight of 327.29 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-hydroxyphenyl)-[6-(2-fluoro-3-hydroxyphenyl)-2-pyridinyl]methanone is sourced from PubChem (CID 122707109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).