[2-(3,5-dichlorophenyl)-6-[(5-fluoro-6-piperidin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methanol

C22H20Cl2FN3O2 — CID 167591140

IUPAC[2-(3,5-dichlorophenyl)-6-[(5-fluoro-6-piperidin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methanol
SMILESOCc1cc(Oc2cnc(N3CCCCC3)c(F)c2)nc(-c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C22H20Cl2FN3O2/c23-16-8-15(9-17(24)10-16)20-6-14(13-29)7-21(27-20)30-18-11-19(25)22(26-12-18)28-4-2-1-3-5-28/h6-12,29H,1-5,13H2
InChIKeyILINSNPPSXHXCS-UHFFFAOYSA-N
MW448.33 g/mol
LogP5.86
Rot. Bonds5

About [2-(3,5-dichlorophenyl)-6-[(5-fluoro-6-piperidin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methanol

[2-(3,5-dichlorophenyl)-6-[(5-fluoro-6-piperidin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methanol (PubChem CID 167591140) has the molecular formula C22H20Cl2FN3O2 and a molecular weight of 448.33 g/mol. Its IUPAC name is [2-(3,5-dichlorophenyl)-6-[(5-fluoro-6-piperidin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(3,5-dichlorophenyl)-6-[(5-fluoro-6-piperidin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methanol
PubChem CID167591140
Molecular FormulaC22H20Cl2FN3O2
Molecular Weight448.33 g/mol
Exact Mass447.09
IUPAC Name[2-(3,5-dichlorophenyl)-6-[(5-fluoro-6-piperidin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methanol
SMILESOCc1cc(Oc2cnc(N3CCCCC3)c(F)c2)nc(-c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C22H20Cl2FN3O2/c23-16-8-15(9-17(24)10-16)20-6-14(13-29)7-21(27-20)30-18-11-19(25)22(26-12-18)28-4-2-1-3-5-28/h6-12,29H,1-5,13H2
InChIKeyILINSNPPSXHXCS-UHFFFAOYSA-N
XLogP5.86
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.33
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dichlorophenyl)-6-[(5-fluoro-6-piperidin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methanol?
The IUPAC name of [2-(3,5-dichlorophenyl)-6-[(5-fluoro-6-piperidin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methanol (CID 167591140) is [2-(3,5-dichlorophenyl)-6-[(5-fluoro-6-piperidin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methanol.
What is the SMILES notation for [2-(3,5-dichlorophenyl)-6-[(5-fluoro-6-piperidin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methanol?
The canonical SMILES for [2-(3,5-dichlorophenyl)-6-[(5-fluoro-6-piperidin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methanol is OCc1cc(Oc2cnc(N3CCCCC3)c(F)c2)nc(-c2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of [2-(3,5-dichlorophenyl)-6-[(5-fluoro-6-piperidin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methanol?
The InChIKey is ILINSNPPSXHXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2FN3O2/c23-16-8-15(9-17(24)10-16)20-6-14(13-29)7-21(27-20)30-18-11-19(25)22(26-12-18)28-4-2-1-3-5-28/h6-12,29H,1-5,13H2.
What are the key properties of [2-(3,5-dichlorophenyl)-6-[(5-fluoro-6-piperidin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methanol?
[2-(3,5-dichlorophenyl)-6-[(5-fluoro-6-piperidin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methanol has a molecular weight of 448.33 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dichlorophenyl)-6-[(5-fluoro-6-piperidin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methanol is sourced from PubChem (CID 167591140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).