2-(1-fluoroprop-2-enyl)pyrimidin-5-ol

C7H7FN2O — CID 70502858

IUPAC2-(1-fluoroprop-2-enyl)pyrimidin-5-ol
SMILESC=CC(F)c1ncc(O)cn1
InChIInChI=1S/C7H7FN2O/c1-2-6(8)7-9-3-5(11)4-10-7/h2-4,6,11H,1H2
InChIKeyJYZUGORIBPUUNJ-UHFFFAOYSA-N
MW154.14 g/mol
LogP1.38
Rot. Bonds2

About 2-(1-fluoroprop-2-enyl)pyrimidin-5-ol

2-(1-fluoroprop-2-enyl)pyrimidin-5-ol (PubChem CID 70502858) has the molecular formula C7H7FN2O and a molecular weight of 154.14 g/mol. Its IUPAC name is 2-(1-fluoroprop-2-enyl)pyrimidin-5-ol.

Molecular Properties

Compound Name2-(1-fluoroprop-2-enyl)pyrimidin-5-ol
PubChem CID70502858
Molecular FormulaC7H7FN2O
Molecular Weight154.14 g/mol
Exact Mass154.05
IUPAC Name2-(1-fluoroprop-2-enyl)pyrimidin-5-ol
SMILESC=CC(F)c1ncc(O)cn1
InChIInChI=1S/C7H7FN2O/c1-2-6(8)7-9-3-5(11)4-10-7/h2-4,6,11H,1H2
InChIKeyJYZUGORIBPUUNJ-UHFFFAOYSA-N
XLogP1.38
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.14
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoroprop-2-enyl)pyrimidin-5-ol?
The IUPAC name of 2-(1-fluoroprop-2-enyl)pyrimidin-5-ol (CID 70502858) is 2-(1-fluoroprop-2-enyl)pyrimidin-5-ol.
What is the SMILES notation for 2-(1-fluoroprop-2-enyl)pyrimidin-5-ol?
The canonical SMILES for 2-(1-fluoroprop-2-enyl)pyrimidin-5-ol is C=CC(F)c1ncc(O)cn1.
What is the InChIKey of 2-(1-fluoroprop-2-enyl)pyrimidin-5-ol?
The InChIKey is JYZUGORIBPUUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O/c1-2-6(8)7-9-3-5(11)4-10-7/h2-4,6,11H,1H2.
What are the key properties of 2-(1-fluoroprop-2-enyl)pyrimidin-5-ol?
2-(1-fluoroprop-2-enyl)pyrimidin-5-ol has a molecular weight of 154.14 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroprop-2-enyl)pyrimidin-5-ol is sourced from PubChem (CID 70502858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).