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

C25H36FNO — CID 22005069

IUPAC[4-(4-fluorophenyl)-5-heptyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol
SMILESCCCCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1
InChIInChI=1S/C25H36FNO/c1-6-7-8-9-10-11-21-23(19-12-14-20(26)15-13-19)22(16-28)25(18(4)5)27-24(21)17(2)3/h12-15,17-18,28H,6-11,16H2,1-5H3
InChIKeyGMYJPCHIGABYSB-UHFFFAOYSA-N
MW385.57 g/mol
LogP7.14
Rot. Bonds10

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

[4-(4-fluorophenyl)-5-heptyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol (PubChem CID 22005069) has the molecular formula C25H36FNO and a molecular weight of 385.57 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-5-heptyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-5-heptyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol
PubChem CID22005069
Molecular FormulaC25H36FNO
Molecular Weight385.57 g/mol
Exact Mass385.28
IUPAC Name[4-(4-fluorophenyl)-5-heptyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol
SMILESCCCCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1
InChIInChI=1S/C25H36FNO/c1-6-7-8-9-10-11-21-23(19-12-14-20(26)15-13-19)22(16-28)25(18(4)5)27-24(21)17(2)3/h12-15,17-18,28H,6-11,16H2,1-5H3
InChIKeyGMYJPCHIGABYSB-UHFFFAOYSA-N
XLogP7.14
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.57
LogP ≤ 57.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 [4-(4-fluorophenyl)-5-heptyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The IUPAC name of [4-(4-fluorophenyl)-5-heptyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol (CID 22005069) is [4-(4-fluorophenyl)-5-heptyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [4-(4-fluorophenyl)-5-heptyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The canonical SMILES for [4-(4-fluorophenyl)-5-heptyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol is CCCCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1.
What is the InChIKey of [4-(4-fluorophenyl)-5-heptyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The InChIKey is GMYJPCHIGABYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36FNO/c1-6-7-8-9-10-11-21-23(19-12-14-20(26)15-13-19)22(16-28)25(18(4)5)27-24(21)17(2)3/h12-15,17-18,28H,6-11,16H2,1-5H3.
What are the key properties of [4-(4-fluorophenyl)-5-heptyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
[4-(4-fluorophenyl)-5-heptyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol has a molecular weight of 385.57 g/mol, XLogP of 7.14, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-5-heptyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 22005069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).