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

C21H21F2N3O — CID 59399184

IUPAC2-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cccc(C(C)(C)c2cccc(-c3ccc(F)nc3F)n2)n1
InChIInChI=1S/C21H21F2N3O/c1-20(2,16-9-6-10-17(25-16)21(3,4)27)15-8-5-7-14(24-15)13-11-12-18(22)26-19(13)23/h5-12,27H,1-4H3
InChIKeyYITAGSVIMBEIIY-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.37
Rot. Bonds4

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

2-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol (PubChem CID 59399184) has the molecular formula C21H21F2N3O and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol
PubChem CID59399184
Molecular FormulaC21H21F2N3O
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name2-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cccc(C(C)(C)c2cccc(-c3ccc(F)nc3F)n2)n1
InChIInChI=1S/C21H21F2N3O/c1-20(2,16-9-6-10-17(25-16)21(3,4)27)15-8-5-7-14(24-15)13-11-12-18(22)26-19(13)23/h5-12,27H,1-4H3
InChIKeyYITAGSVIMBEIIY-UHFFFAOYSA-N
XLogP4.37
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol with MolForge

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Related Compounds

Tripyridin-2-ylmethanol
CID 4400709
(1S,1'S)-1,1'-([2,2'-Bipyridine]-6,6'-diyl)bis(2,2-dimethylpropan-1-ol)
CID 11151607
(1R,1'R)-1,1'-([2,2'-Bipyridine]-6,6'-diyl)bis(2,2-dimethylpropan-1-ol)
CID 11198247
Di(2-pyridyl)phenylmethanol
CID 13976522
(6-Fluoro-2-pyridinyl)-phenylmethanol
CID 11241129
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
(6-(4-Fluorophenyl)pyridin-2-yl)methanol
CID 23370235
(6-(3-Fluorophenyl)pyridin-2-yl)methanol
CID 24730099
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

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol (CID 59399184) is 2-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol is CC(C)(O)c1cccc(C(C)(C)c2cccc(-c3ccc(F)nc3F)n2)n1.
What is the InChIKey of 2-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol?
The InChIKey is YITAGSVIMBEIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O/c1-20(2,16-9-6-10-17(25-16)21(3,4)27)15-8-5-7-14(24-15)13-11-12-18(22)26-19(13)23/h5-12,27H,1-4H3.
What are the key properties of 2-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol?
2-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol has a molecular weight of 369.42 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 59399184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).