[4-(4-fluorophenyl)-2-(1-iodopropan-2-yl)-6-thiophen-2-yl-3-pyridinyl]methanol

C19H17FINOS — CID 67942130

IUPAC[4-(4-fluorophenyl)-2-(1-iodopropan-2-yl)-6-thiophen-2-yl-3-pyridinyl]methanol
SMILESCC(CI)c1nc(-c2cccs2)cc(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C19H17FINOS/c1-12(10-21)19-16(11-23)15(13-4-6-14(20)7-5-13)9-17(22-19)18-3-2-8-24-18/h2-9,12,23H,10-11H2,1H3
InChIKeyZUEQELWKNUEXBH-UHFFFAOYSA-N
MW453.32 g/mol
LogP5.65
Rot. Bonds5

About [4-(4-fluorophenyl)-2-(1-iodopropan-2-yl)-6-thiophen-2-yl-3-pyridinyl]methanol

[4-(4-fluorophenyl)-2-(1-iodopropan-2-yl)-6-thiophen-2-yl-3-pyridinyl]methanol (PubChem CID 67942130) has the molecular formula C19H17FINOS and a molecular weight of 453.32 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-2-(1-iodopropan-2-yl)-6-thiophen-2-yl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-2-(1-iodopropan-2-yl)-6-thiophen-2-yl-3-pyridinyl]methanol
PubChem CID67942130
Molecular FormulaC19H17FINOS
Molecular Weight453.32 g/mol
Exact Mass453.01
IUPAC Name[4-(4-fluorophenyl)-2-(1-iodopropan-2-yl)-6-thiophen-2-yl-3-pyridinyl]methanol
SMILESCC(CI)c1nc(-c2cccs2)cc(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C19H17FINOS/c1-12(10-21)19-16(11-23)15(13-4-6-14(20)7-5-13)9-17(22-19)18-3-2-8-24-18/h2-9,12,23H,10-11H2,1H3
InChIKeyZUEQELWKNUEXBH-UHFFFAOYSA-N
XLogP5.65
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.32
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-2-(1-iodopropan-2-yl)-6-thiophen-2-yl-3-pyridinyl]methanol?
The IUPAC name of [4-(4-fluorophenyl)-2-(1-iodopropan-2-yl)-6-thiophen-2-yl-3-pyridinyl]methanol (CID 67942130) is [4-(4-fluorophenyl)-2-(1-iodopropan-2-yl)-6-thiophen-2-yl-3-pyridinyl]methanol.
What is the SMILES notation for [4-(4-fluorophenyl)-2-(1-iodopropan-2-yl)-6-thiophen-2-yl-3-pyridinyl]methanol?
The canonical SMILES for [4-(4-fluorophenyl)-2-(1-iodopropan-2-yl)-6-thiophen-2-yl-3-pyridinyl]methanol is CC(CI)c1nc(-c2cccs2)cc(-c2ccc(F)cc2)c1CO.
What is the InChIKey of [4-(4-fluorophenyl)-2-(1-iodopropan-2-yl)-6-thiophen-2-yl-3-pyridinyl]methanol?
The InChIKey is ZUEQELWKNUEXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FINOS/c1-12(10-21)19-16(11-23)15(13-4-6-14(20)7-5-13)9-17(22-19)18-3-2-8-24-18/h2-9,12,23H,10-11H2,1H3.
What are the key properties of [4-(4-fluorophenyl)-2-(1-iodopropan-2-yl)-6-thiophen-2-yl-3-pyridinyl]methanol?
[4-(4-fluorophenyl)-2-(1-iodopropan-2-yl)-6-thiophen-2-yl-3-pyridinyl]methanol has a molecular weight of 453.32 g/mol, XLogP of 5.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-2-(1-iodopropan-2-yl)-6-thiophen-2-yl-3-pyridinyl]methanol is sourced from PubChem (CID 67942130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).