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

C19H24FNO2 — CID 15924226

IUPAC[4-(4-fluorophenyl)-5-(hydroxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol
SMILESCC(C)c1nc(C(C)C)c(CO)c(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C19H24FNO2/c1-11(2)18-15(9-22)17(13-5-7-14(20)8-6-13)16(10-23)19(21-18)12(3)4/h5-8,11-12,22-23H,9-10H2,1-4H3
InChIKeyVBHQFVZODUVXKO-UHFFFAOYSA-N
MW317.40 g/mol
LogP4.12
Rot. Bonds5

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

[4-(4-fluorophenyl)-5-(hydroxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol (PubChem CID 15924226) has the molecular formula C19H24FNO2 and a molecular weight of 317.40 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-5-(hydroxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-5-(hydroxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol
PubChem CID15924226
Molecular FormulaC19H24FNO2
Molecular Weight317.40 g/mol
Exact Mass317.18
IUPAC Name[4-(4-fluorophenyl)-5-(hydroxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol
SMILESCC(C)c1nc(C(C)C)c(CO)c(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C19H24FNO2/c1-11(2)18-15(9-22)17(13-5-7-14(20)8-6-13)16(10-23)19(21-18)12(3)4/h5-8,11-12,22-23H,9-10H2,1-4H3
InChIKeyVBHQFVZODUVXKO-UHFFFAOYSA-N
XLogP4.12
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-5-(hydroxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The IUPAC name of [4-(4-fluorophenyl)-5-(hydroxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol (CID 15924226) is [4-(4-fluorophenyl)-5-(hydroxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [4-(4-fluorophenyl)-5-(hydroxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The canonical SMILES for [4-(4-fluorophenyl)-5-(hydroxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol is CC(C)c1nc(C(C)C)c(CO)c(-c2ccc(F)cc2)c1CO.
What is the InChIKey of [4-(4-fluorophenyl)-5-(hydroxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The InChIKey is VBHQFVZODUVXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO2/c1-11(2)18-15(9-22)17(13-5-7-14(20)8-6-13)16(10-23)19(21-18)12(3)4/h5-8,11-12,22-23H,9-10H2,1-4H3.
What are the key properties of [4-(4-fluorophenyl)-5-(hydroxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
[4-(4-fluorophenyl)-5-(hydroxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol has a molecular weight of 317.40 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-5-(hydroxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 15924226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).