5-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pent-4-yn-1-ol

C20H16FNOS — CID 118911900

IUPAC5-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pent-4-yn-1-ol
SMILESOCCCC#Cc1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C20H16FNOS/c21-17-7-5-16(6-8-17)20-19(15-9-11-22-12-10-15)14-18(24-20)4-2-1-3-13-23/h5-12,14,23H,1,3,13H2
InChIKeyFNRJWZDHLPWFJP-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.74
Rot. Bonds4

About 5-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pent-4-yn-1-ol

5-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pent-4-yn-1-ol (PubChem CID 118911900) has the molecular formula C20H16FNOS and a molecular weight of 337.42 g/mol. Its IUPAC name is 5-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pent-4-yn-1-ol.

Molecular Properties

Compound Name5-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pent-4-yn-1-ol
PubChem CID118911900
Molecular FormulaC20H16FNOS
Molecular Weight337.42 g/mol
Exact Mass337.09
IUPAC Name5-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pent-4-yn-1-ol
SMILESOCCCC#Cc1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C20H16FNOS/c21-17-7-5-16(6-8-17)20-19(15-9-11-22-12-10-15)14-18(24-20)4-2-1-3-13-23/h5-12,14,23H,1,3,13H2
InChIKeyFNRJWZDHLPWFJP-UHFFFAOYSA-N
XLogP4.74
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pent-4-yn-1-ol?
The IUPAC name of 5-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pent-4-yn-1-ol (CID 118911900) is 5-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pent-4-yn-1-ol.
What is the SMILES notation for 5-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pent-4-yn-1-ol?
The canonical SMILES for 5-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pent-4-yn-1-ol is OCCCC#Cc1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1.
What is the InChIKey of 5-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pent-4-yn-1-ol?
The InChIKey is FNRJWZDHLPWFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNOS/c21-17-7-5-16(6-8-17)20-19(15-9-11-22-12-10-15)14-18(24-20)4-2-1-3-13-23/h5-12,14,23H,1,3,13H2.
What are the key properties of 5-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pent-4-yn-1-ol?
5-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pent-4-yn-1-ol has a molecular weight of 337.42 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pent-4-yn-1-ol is sourced from PubChem (CID 118911900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).