5-fluoro-4-hydroxy-2-(5-methoxy-2-pyridinyl)-1H-pyrimidin-6-one

C10H8FN3O3 — CID 122505538

IUPAC5-fluoro-4-hydroxy-2-(5-methoxy-2-pyridinyl)-1H-pyrimidin-6-one
SMILESCOc1ccc(-c2nc(O)c(F)c(=O)[nH]2)nc1
InChIInChI=1S/C10H8FN3O3/c1-17-5-2-3-6(12-4-5)8-13-9(15)7(11)10(16)14-8/h2-4H,1H3,(H2,13,14,15,16)
InChIKeyNANLABGGYFDBBV-UHFFFAOYSA-N
MW237.19 g/mol
LogP0.69
Rot. Bonds2

About 5-fluoro-4-hydroxy-2-(5-methoxy-2-pyridinyl)-1H-pyrimidin-6-one

5-fluoro-4-hydroxy-2-(5-methoxy-2-pyridinyl)-1H-pyrimidin-6-one (PubChem CID 122505538) has the molecular formula C10H8FN3O3 and a molecular weight of 237.19 g/mol. Its IUPAC name is 5-fluoro-4-hydroxy-2-(5-methoxy-2-pyridinyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-4-hydroxy-2-(5-methoxy-2-pyridinyl)-1H-pyrimidin-6-one
PubChem CID122505538
Molecular FormulaC10H8FN3O3
Molecular Weight237.19 g/mol
Exact Mass237.05
IUPAC Name5-fluoro-4-hydroxy-2-(5-methoxy-2-pyridinyl)-1H-pyrimidin-6-one
SMILESCOc1ccc(-c2nc(O)c(F)c(=O)[nH]2)nc1
InChIInChI=1S/C10H8FN3O3/c1-17-5-2-3-6(12-4-5)8-13-9(15)7(11)10(16)14-8/h2-4H,1H3,(H2,13,14,15,16)
InChIKeyNANLABGGYFDBBV-UHFFFAOYSA-N
XLogP0.69
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.19
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-hydroxy-2-(5-methoxy-2-pyridinyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-4-hydroxy-2-(5-methoxy-2-pyridinyl)-1H-pyrimidin-6-one (CID 122505538) is 5-fluoro-4-hydroxy-2-(5-methoxy-2-pyridinyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-4-hydroxy-2-(5-methoxy-2-pyridinyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-4-hydroxy-2-(5-methoxy-2-pyridinyl)-1H-pyrimidin-6-one is COc1ccc(-c2nc(O)c(F)c(=O)[nH]2)nc1.
What is the InChIKey of 5-fluoro-4-hydroxy-2-(5-methoxy-2-pyridinyl)-1H-pyrimidin-6-one?
The InChIKey is NANLABGGYFDBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O3/c1-17-5-2-3-6(12-4-5)8-13-9(15)7(11)10(16)14-8/h2-4H,1H3,(H2,13,14,15,16).
What are the key properties of 5-fluoro-4-hydroxy-2-(5-methoxy-2-pyridinyl)-1H-pyrimidin-6-one?
5-fluoro-4-hydroxy-2-(5-methoxy-2-pyridinyl)-1H-pyrimidin-6-one has a molecular weight of 237.19 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-hydroxy-2-(5-methoxy-2-pyridinyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 122505538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).