[2,6-bis(2,3-difluorophenyl)-4-pyridinyl]methanol

C18H11F4NO — CID 133093716

IUPAC[2,6-bis(2,3-difluorophenyl)-4-pyridinyl]methanol
SMILESOCc1cc(-c2cccc(F)c2F)nc(-c2cccc(F)c2F)c1
InChIInChI=1S/C18H11F4NO/c19-13-5-1-3-11(17(13)21)15-7-10(9-24)8-16(23-15)12-4-2-6-14(20)18(12)22/h1-8,24H,9H2
InChIKeyDJLJUTSIFFSHOI-UHFFFAOYSA-N
MW333.28 g/mol
LogP4.46
Rot. Bonds3

About [2,6-bis(2,3-difluorophenyl)-4-pyridinyl]methanol

[2,6-bis(2,3-difluorophenyl)-4-pyridinyl]methanol (PubChem CID 133093716) has the molecular formula C18H11F4NO and a molecular weight of 333.28 g/mol. Its IUPAC name is [2,6-bis(2,3-difluorophenyl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2,6-bis(2,3-difluorophenyl)-4-pyridinyl]methanol
PubChem CID133093716
Molecular FormulaC18H11F4NO
Molecular Weight333.28 g/mol
Exact Mass333.08
IUPAC Name[2,6-bis(2,3-difluorophenyl)-4-pyridinyl]methanol
SMILESOCc1cc(-c2cccc(F)c2F)nc(-c2cccc(F)c2F)c1
InChIInChI=1S/C18H11F4NO/c19-13-5-1-3-11(17(13)21)15-7-10(9-24)8-16(23-15)12-4-2-6-14(20)18(12)22/h1-8,24H,9H2
InChIKeyDJLJUTSIFFSHOI-UHFFFAOYSA-N
XLogP4.46
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.28
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2,6-bis(2,3-difluorophenyl)-4-pyridinyl]methanol?
The IUPAC name of [2,6-bis(2,3-difluorophenyl)-4-pyridinyl]methanol (CID 133093716) is [2,6-bis(2,3-difluorophenyl)-4-pyridinyl]methanol.
What is the SMILES notation for [2,6-bis(2,3-difluorophenyl)-4-pyridinyl]methanol?
The canonical SMILES for [2,6-bis(2,3-difluorophenyl)-4-pyridinyl]methanol is OCc1cc(-c2cccc(F)c2F)nc(-c2cccc(F)c2F)c1.
What is the InChIKey of [2,6-bis(2,3-difluorophenyl)-4-pyridinyl]methanol?
The InChIKey is DJLJUTSIFFSHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F4NO/c19-13-5-1-3-11(17(13)21)15-7-10(9-24)8-16(23-15)12-4-2-6-14(20)18(12)22/h1-8,24H,9H2.
What are the key properties of [2,6-bis(2,3-difluorophenyl)-4-pyridinyl]methanol?
[2,6-bis(2,3-difluorophenyl)-4-pyridinyl]methanol has a molecular weight of 333.28 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-bis(2,3-difluorophenyl)-4-pyridinyl]methanol is sourced from PubChem (CID 133093716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).