fluoro-(4-fluorophenyl)-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]methanol

C24H33F2NO2 — CID 67483460

IUPACfluoro-(4-fluorophenyl)-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]methanol
SMILESCCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1C(O)(F)c1ccc(F)cc1
InChIInChI=1S/C24H33F2NO2/c1-6-7-8-9-19-21(24(26,29)17-10-12-18(25)13-11-17)20(14-28)23(16(4)5)27-22(19)15(2)3/h10-13,15-16,28-29H,6-9,14H2,1-5H3
InChIKeyBBAZJUFOKQFEEC-UHFFFAOYSA-N
MW405.53 g/mol
LogP5.86
Rot. Bonds9

About fluoro-(4-fluorophenyl)-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]methanol

fluoro-(4-fluorophenyl)-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]methanol (PubChem CID 67483460) has the molecular formula C24H33F2NO2 and a molecular weight of 405.53 g/mol. Its IUPAC name is fluoro-(4-fluorophenyl)-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]methanol.

Molecular Properties

Compound Namefluoro-(4-fluorophenyl)-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]methanol
PubChem CID67483460
Molecular FormulaC24H33F2NO2
Molecular Weight405.53 g/mol
Exact Mass405.25
IUPAC Namefluoro-(4-fluorophenyl)-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]methanol
SMILESCCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1C(O)(F)c1ccc(F)cc1
InChIInChI=1S/C24H33F2NO2/c1-6-7-8-9-19-21(24(26,29)17-10-12-18(25)13-11-17)20(14-28)23(16(4)5)27-22(19)15(2)3/h10-13,15-16,28-29H,6-9,14H2,1-5H3
InChIKeyBBAZJUFOKQFEEC-UHFFFAOYSA-N
XLogP5.86
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.53
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of fluoro-(4-fluorophenyl)-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]methanol?
The IUPAC name of fluoro-(4-fluorophenyl)-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]methanol (CID 67483460) is fluoro-(4-fluorophenyl)-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]methanol.
What is the SMILES notation for fluoro-(4-fluorophenyl)-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]methanol?
The canonical SMILES for fluoro-(4-fluorophenyl)-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]methanol is CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1C(O)(F)c1ccc(F)cc1.
What is the InChIKey of fluoro-(4-fluorophenyl)-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]methanol?
The InChIKey is BBAZJUFOKQFEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33F2NO2/c1-6-7-8-9-19-21(24(26,29)17-10-12-18(25)13-11-17)20(14-28)23(16(4)5)27-22(19)15(2)3/h10-13,15-16,28-29H,6-9,14H2,1-5H3.
What are the key properties of fluoro-(4-fluorophenyl)-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]methanol?
fluoro-(4-fluorophenyl)-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]methanol has a molecular weight of 405.53 g/mol, XLogP of 5.86, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-(4-fluorophenyl)-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]methanol is sourced from PubChem (CID 67483460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).