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

C19H17F2N3O — CID 59399260

IUPAC[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]methanol
SMILESCC(C)(c1cccc(CO)n1)c1cccc(-c2ccc(F)nc2F)n1
InChIInChI=1S/C19H17F2N3O/c1-19(2,15-7-3-5-12(11-25)22-15)16-8-4-6-14(23-16)13-9-10-17(20)24-18(13)21/h3-10,25H,11H2,1-2H3
InChIKeyXQKCTTFWWNUROU-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.63
Rot. Bonds4

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

[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]methanol (PubChem CID 59399260) has the molecular formula C19H17F2N3O and a molecular weight of 341.36 g/mol. Its IUPAC name is [6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]methanol
PubChem CID59399260
Molecular FormulaC19H17F2N3O
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]methanol
SMILESCC(C)(c1cccc(CO)n1)c1cccc(-c2ccc(F)nc2F)n1
InChIInChI=1S/C19H17F2N3O/c1-19(2,15-7-3-5-12(11-25)22-15)16-8-4-6-14(23-16)13-9-10-17(20)24-18(13)21/h3-10,25H,11H2,1-2H3
InChIKeyXQKCTTFWWNUROU-UHFFFAOYSA-N
XLogP3.63
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.63
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

1-[2,6-Bis(4-fluorophenyl)-4-pyridinyl]-2-(dibutylamino)ethanol
CID 90669331
1-[2,6-Bis(4-fluorophenyl)-4-pyridinyl]-2-(dihexylamino)ethanol
CID 90669349
1-[2,6-Bis(4-fluorophenyl)-4-pyridinyl]-2-(diheptylamino)ethanol
CID 90669350
2-Hydroxymethyl-6-phenylpyridine
CID 10726186
(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
(6-Fluoro-2-pyridinyl)-phenylmethanol
CID 11241129
4-(4-Fluorophenyl)-2-methyl-6-phenyl-3-pyridinemethanol
CID 14460147
4-(4-Fluorophenyl)-2-(1-methylethyl)-6-phenyl-3-pyridinemethanol
CID 14460148
[6-Tert-butyl-4-(4-fluorophenyl)-2-propan-2-yl-3-pyridinyl]methanol
CID 15099533
[2-Tert-butyl-4-(4-fluorophenyl)-6-phenyl-3-pyridinyl]methanol
CID 15099537
2-(4-Fluorophenyl)-4-(1-methylethyl)-6-phenyl-3-pyridinemethanol
CID 15099539

Frequently Asked Questions

What is the IUPAC name of [6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]methanol?
The IUPAC name of [6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]methanol (CID 59399260) is [6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]methanol?
The canonical SMILES for [6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]methanol is CC(C)(c1cccc(CO)n1)c1cccc(-c2ccc(F)nc2F)n1.
What is the InChIKey of [6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]methanol?
The InChIKey is XQKCTTFWWNUROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O/c1-19(2,15-7-3-5-12(11-25)22-15)16-8-4-6-14(23-16)13-9-10-17(20)24-18(13)21/h3-10,25H,11H2,1-2H3.
What are the key properties of [6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]methanol?
[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]methanol has a molecular weight of 341.36 g/mol, XLogP of 3.63, 4 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]methanol is sourced from PubChem (CID 59399260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).