1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1-phenylethanol

C26H23F2N3O — CID 59399110

IUPAC1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1-phenylethanol
SMILESCC(C)(c1cccc(-c2ccc(F)nc2F)n1)c1cccc(C(C)(O)c2ccccc2)n1
InChIInChI=1S/C26H23F2N3O/c1-25(2,20-12-7-11-19(29-20)18-15-16-23(27)31-24(18)28)21-13-8-14-22(30-21)26(3,32)17-9-5-4-6-10-17/h4-16,32H,1-3H3
InChIKeyRFUJDVIMHRYZCK-UHFFFAOYSA-N
MW431.49 g/mol
LogP5.40
Rot. Bonds5

About 1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1-phenylethanol

1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1-phenylethanol (PubChem CID 59399110) has the molecular formula C26H23F2N3O and a molecular weight of 431.49 g/mol. Its IUPAC name is 1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1-phenylethanol.

Molecular Properties

Compound Name1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1-phenylethanol
PubChem CID59399110
Molecular FormulaC26H23F2N3O
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1-phenylethanol
SMILESCC(C)(c1cccc(-c2ccc(F)nc2F)n1)c1cccc(C(C)(O)c2ccccc2)n1
InChIInChI=1S/C26H23F2N3O/c1-25(2,20-12-7-11-19(29-20)18-15-16-23(27)31-24(18)28)21-13-8-14-22(30-21)26(3,32)17-9-5-4-6-10-17/h4-16,32H,1-3H3
InChIKeyRFUJDVIMHRYZCK-UHFFFAOYSA-N
XLogP5.40
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.49
LogP ≤ 55.40
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
Di(2-pyridyl)phenylmethanol
CID 13976522
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
[6-[Fluoro-bis[6-[hydroxy(phenyl)methyl]-2-pyridinyl]methyl]-2-pyridinyl]-phenylmethanol
CID 58225082

Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1-phenylethanol?
The IUPAC name of 1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1-phenylethanol (CID 59399110) is 1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1-phenylethanol.
What is the SMILES notation for 1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1-phenylethanol?
The canonical SMILES for 1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1-phenylethanol is CC(C)(c1cccc(-c2ccc(F)nc2F)n1)c1cccc(C(C)(O)c2ccccc2)n1.
What is the InChIKey of 1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1-phenylethanol?
The InChIKey is RFUJDVIMHRYZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N3O/c1-25(2,20-12-7-11-19(29-20)18-15-16-23(27)31-24(18)28)21-13-8-14-22(30-21)26(3,32)17-9-5-4-6-10-17/h4-16,32H,1-3H3.
What are the key properties of 1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1-phenylethanol?
1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1-phenylethanol has a molecular weight of 431.49 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1-phenylethanol is sourced from PubChem (CID 59399110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).