(Z)-3-fluoro-3-(5-pyridin-2-ylthiophen-3-yl)prop-1-en-1-ol

C12H10FNOS — CID 174475783

IUPAC(Z)-3-fluoro-3-(5-pyridin-2-ylthiophen-3-yl)prop-1-en-1-ol
SMILESO/C=C\C(F)c1csc(-c2ccccn2)c1
InChIInChI=1S/C12H10FNOS/c13-10(4-6-15)9-7-12(16-8-9)11-3-1-2-5-14-11/h1-8,10,15H/b6-4-
InChIKeyUOSGEUAZQPQONE-XQRVVYSFSA-N
MW235.28 g/mol
LogP3.89
Rot. Bonds3

About (Z)-3-fluoro-3-(5-pyridin-2-ylthiophen-3-yl)prop-1-en-1-ol

(Z)-3-fluoro-3-(5-pyridin-2-ylthiophen-3-yl)prop-1-en-1-ol (PubChem CID 174475783) has the molecular formula C12H10FNOS and a molecular weight of 235.28 g/mol. Its IUPAC name is (Z)-3-fluoro-3-(5-pyridin-2-ylthiophen-3-yl)prop-1-en-1-ol.

Molecular Properties

Compound Name(Z)-3-fluoro-3-(5-pyridin-2-ylthiophen-3-yl)prop-1-en-1-ol
PubChem CID174475783
Molecular FormulaC12H10FNOS
Molecular Weight235.28 g/mol
Exact Mass235.05
IUPAC Name(Z)-3-fluoro-3-(5-pyridin-2-ylthiophen-3-yl)prop-1-en-1-ol
SMILESO/C=C\C(F)c1csc(-c2ccccn2)c1
InChIInChI=1S/C12H10FNOS/c13-10(4-6-15)9-7-12(16-8-9)11-3-1-2-5-14-11/h1-8,10,15H/b6-4-
InChIKeyUOSGEUAZQPQONE-XQRVVYSFSA-N
XLogP3.89
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-fluoro-3-(5-pyridin-2-ylthiophen-3-yl)prop-1-en-1-ol?
The IUPAC name of (Z)-3-fluoro-3-(5-pyridin-2-ylthiophen-3-yl)prop-1-en-1-ol (CID 174475783) is (Z)-3-fluoro-3-(5-pyridin-2-ylthiophen-3-yl)prop-1-en-1-ol.
What is the SMILES notation for (Z)-3-fluoro-3-(5-pyridin-2-ylthiophen-3-yl)prop-1-en-1-ol?
The canonical SMILES for (Z)-3-fluoro-3-(5-pyridin-2-ylthiophen-3-yl)prop-1-en-1-ol is O/C=C\C(F)c1csc(-c2ccccn2)c1.
What is the InChIKey of (Z)-3-fluoro-3-(5-pyridin-2-ylthiophen-3-yl)prop-1-en-1-ol?
The InChIKey is UOSGEUAZQPQONE-XQRVVYSFSA-N. The full InChI is InChI=1S/C12H10FNOS/c13-10(4-6-15)9-7-12(16-8-9)11-3-1-2-5-14-11/h1-8,10,15H/b6-4-.
What are the key properties of (Z)-3-fluoro-3-(5-pyridin-2-ylthiophen-3-yl)prop-1-en-1-ol?
(Z)-3-fluoro-3-(5-pyridin-2-ylthiophen-3-yl)prop-1-en-1-ol has a molecular weight of 235.28 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-fluoro-3-(5-pyridin-2-ylthiophen-3-yl)prop-1-en-1-ol is sourced from PubChem (CID 174475783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).