[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-diphenylmethanol

C31H25F2N3O — CID 59399275

IUPAC[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-diphenylmethanol
SMILESCC(C)(c1cccc(-c2ccc(F)nc2F)n1)c1cccc(C(O)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C31H25F2N3O/c1-30(2,25-16-9-15-24(34-25)23-19-20-28(32)36-29(23)33)26-17-10-18-27(35-26)31(37,21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-20,37H,1-2H3
InChIKeyLKNMXHQLPUELKS-UHFFFAOYSA-N
MW493.56 g/mol
LogP6.43
Rot. Bonds6

About [6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-diphenylmethanol

[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-diphenylmethanol (PubChem CID 59399275) has the molecular formula C31H25F2N3O and a molecular weight of 493.56 g/mol. Its IUPAC name is [6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-diphenylmethanol.

Molecular Properties

Compound Name[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-diphenylmethanol
PubChem CID59399275
Molecular FormulaC31H25F2N3O
Molecular Weight493.56 g/mol
Exact Mass493.20
IUPAC Name[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-diphenylmethanol
SMILESCC(C)(c1cccc(-c2ccc(F)nc2F)n1)c1cccc(C(O)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C31H25F2N3O/c1-30(2,25-16-9-15-24(34-25)23-19-20-28(32)36-29(23)33)26-17-10-18-27(35-26)31(37,21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-20,37H,1-2H3
InChIKeyLKNMXHQLPUELKS-UHFFFAOYSA-N
XLogP6.43
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.56
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-Bis(diphenylhydroxymethyl)piperidine
CID 94051
1,1'-(Pyridine-2,6-diyl)bis(1,2-diphenylethan-1-ol)
CID 94052
2,6-Bis(dibenzylhydroxymethyl)piperidines
CID 94053
2-[6-[2,2-Bis(4-fluorophenyl)-2-hydroxyethyl]-2-pyridinyl]-1,1-bis(4-fluorophenyl)ethanol
CID 102372871
4-(4-Fluorophenyl)-1-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]piperidin-4-ol
CID 19863544
4-(4-Fluorophenyl)-1-[(6-phenyl-2-pyridinyl)methyl]piperidin-4-ol
CID 19863565
2-[1-(2-Fluorophenyl)-6,7-dimethylisoquinolin-3-yl]butan-2-ol
CID 21074004
1-[[6-(4-Fluorophenyl)-2-pyridinyl]methyl]-4-phenylpiperidin-4-ol
CID 54388237
3-[6-[1-[6-(2,6-Difluoro-3-pyridinyl)-2-pyridinyl]-1-methoxyethyl]-2-pyridinyl]-2,6-difluoropyridine
CID 57615618
[6-[2,4-Difluoro-5-[6-(hydroxymethyl)-2-pyridinyl]phenyl]-2-pyridinyl]methanol
CID 57806535
Tris(2-(2-hydroxyphenylmethyl)-6-pyridyl)-fluoromethane
CID 58106644
[6-[Fluoro-bis[6-[hydroxy(phenyl)methyl]-2-pyridinyl]methyl]-2-pyridinyl]-phenylmethanol
CID 58225082

Frequently Asked Questions

What is the IUPAC name of [6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-diphenylmethanol?
The IUPAC name of [6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-diphenylmethanol (CID 59399275) is [6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-diphenylmethanol.
What is the SMILES notation for [6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-diphenylmethanol?
The canonical SMILES for [6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-diphenylmethanol is CC(C)(c1cccc(-c2ccc(F)nc2F)n1)c1cccc(C(O)(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of [6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-diphenylmethanol?
The InChIKey is LKNMXHQLPUELKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25F2N3O/c1-30(2,25-16-9-15-24(34-25)23-19-20-28(32)36-29(23)33)26-17-10-18-27(35-26)31(37,21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-20,37H,1-2H3.
What are the key properties of [6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-diphenylmethanol?
[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-diphenylmethanol has a molecular weight of 493.56 g/mol, XLogP of 6.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-diphenylmethanol is sourced from PubChem (CID 59399275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).