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

C22H30FNO — CID 22005107

IUPAC[5-butyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol
SMILESCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1
InChIInChI=1S/C22H30FNO/c1-6-7-8-18-20(16-9-11-17(23)12-10-16)19(13-25)22(15(4)5)24-21(18)14(2)3/h9-12,14-15,25H,6-8,13H2,1-5H3
InChIKeyZVOGRANCSDFRIU-UHFFFAOYSA-N
MW343.49 g/mol
LogP5.97
Rot. Bonds7

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

[5-butyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol (PubChem CID 22005107) has the molecular formula C22H30FNO and a molecular weight of 343.49 g/mol. Its IUPAC name is [5-butyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-butyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol
PubChem CID22005107
Molecular FormulaC22H30FNO
Molecular Weight343.49 g/mol
Exact Mass343.23
IUPAC Name[5-butyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol
SMILESCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1
InChIInChI=1S/C22H30FNO/c1-6-7-8-18-20(16-9-11-17(23)12-10-16)19(13-25)22(15(4)5)24-21(18)14(2)3/h9-12,14-15,25H,6-8,13H2,1-5H3
InChIKeyZVOGRANCSDFRIU-UHFFFAOYSA-N
XLogP5.97
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.49
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-butyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The IUPAC name of [5-butyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol (CID 22005107) is [5-butyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [5-butyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The canonical SMILES for [5-butyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol is CCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1.
What is the InChIKey of [5-butyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The InChIKey is ZVOGRANCSDFRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FNO/c1-6-7-8-18-20(16-9-11-17(23)12-10-16)19(13-25)22(15(4)5)24-21(18)14(2)3/h9-12,14-15,25H,6-8,13H2,1-5H3.
What are the key properties of [5-butyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
[5-butyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol has a molecular weight of 343.49 g/mol, XLogP of 5.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-butyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 22005107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).