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

C20H26FNO — CID 22004918

IUPAC[5-ethyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol
SMILESCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1
InChIInChI=1S/C20H26FNO/c1-6-16-18(14-7-9-15(21)10-8-14)17(11-23)20(13(4)5)22-19(16)12(2)3/h7-10,12-13,23H,6,11H2,1-5H3
InChIKeyYKTJDOAGPITATA-UHFFFAOYSA-N
MW315.43 g/mol
LogP5.19
Rot. Bonds5

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

[5-ethyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol (PubChem CID 22004918) has the molecular formula C20H26FNO and a molecular weight of 315.43 g/mol. Its IUPAC name is [5-ethyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-ethyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol
PubChem CID22004918
Molecular FormulaC20H26FNO
Molecular Weight315.43 g/mol
Exact Mass315.20
IUPAC Name[5-ethyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol
SMILESCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1
InChIInChI=1S/C20H26FNO/c1-6-16-18(14-7-9-15(21)10-8-14)17(11-23)20(13(4)5)22-19(16)12(2)3/h7-10,12-13,23H,6,11H2,1-5H3
InChIKeyYKTJDOAGPITATA-UHFFFAOYSA-N
XLogP5.19
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.43
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [5-ethyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-ethyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The IUPAC name of [5-ethyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol (CID 22004918) is [5-ethyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [5-ethyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The canonical SMILES for [5-ethyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol is CCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1.
What is the InChIKey of [5-ethyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The InChIKey is YKTJDOAGPITATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FNO/c1-6-16-18(14-7-9-15(21)10-8-14)17(11-23)20(13(4)5)22-19(16)12(2)3/h7-10,12-13,23H,6,11H2,1-5H3.
What are the key properties of [5-ethyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
[5-ethyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol has a molecular weight of 315.43 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 22004918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).