5-(3-fluorophenyl)-4-hydroxy-2-pyridin-3-yl-1H-pyrimidin-6-one

C15H10FN3O2 — CID 79431652

IUPAC5-(3-fluorophenyl)-4-hydroxy-2-pyridin-3-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2cccnc2)nc(O)c1-c1cccc(F)c1
InChIInChI=1S/C15H10FN3O2/c16-11-5-1-3-9(7-11)12-14(20)18-13(19-15(12)21)10-4-2-6-17-8-10/h1-8H,(H2,18,19,20,21)
InChIKeyKTXBRSMEYUEDMC-UHFFFAOYSA-N
MW283.26 g/mol
LogP2.34
Rot. Bonds2

About 5-(3-fluorophenyl)-4-hydroxy-2-pyridin-3-yl-1H-pyrimidin-6-one

5-(3-fluorophenyl)-4-hydroxy-2-pyridin-3-yl-1H-pyrimidin-6-one (PubChem CID 79431652) has the molecular formula C15H10FN3O2 and a molecular weight of 283.26 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-4-hydroxy-2-pyridin-3-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(3-fluorophenyl)-4-hydroxy-2-pyridin-3-yl-1H-pyrimidin-6-one
PubChem CID79431652
Molecular FormulaC15H10FN3O2
Molecular Weight283.26 g/mol
Exact Mass283.08
IUPAC Name5-(3-fluorophenyl)-4-hydroxy-2-pyridin-3-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2cccnc2)nc(O)c1-c1cccc(F)c1
InChIInChI=1S/C15H10FN3O2/c16-11-5-1-3-9(7-11)12-14(20)18-13(19-15(12)21)10-4-2-6-17-8-10/h1-8H,(H2,18,19,20,21)
InChIKeyKTXBRSMEYUEDMC-UHFFFAOYSA-N
XLogP2.34
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-4-hydroxy-2-pyridin-3-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-(3-fluorophenyl)-4-hydroxy-2-pyridin-3-yl-1H-pyrimidin-6-one (CID 79431652) is 5-(3-fluorophenyl)-4-hydroxy-2-pyridin-3-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(3-fluorophenyl)-4-hydroxy-2-pyridin-3-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(3-fluorophenyl)-4-hydroxy-2-pyridin-3-yl-1H-pyrimidin-6-one is O=c1[nH]c(-c2cccnc2)nc(O)c1-c1cccc(F)c1.
What is the InChIKey of 5-(3-fluorophenyl)-4-hydroxy-2-pyridin-3-yl-1H-pyrimidin-6-one?
The InChIKey is KTXBRSMEYUEDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O2/c16-11-5-1-3-9(7-11)12-14(20)18-13(19-15(12)21)10-4-2-6-17-8-10/h1-8H,(H2,18,19,20,21).
What are the key properties of 5-(3-fluorophenyl)-4-hydroxy-2-pyridin-3-yl-1H-pyrimidin-6-one?
5-(3-fluorophenyl)-4-hydroxy-2-pyridin-3-yl-1H-pyrimidin-6-one has a molecular weight of 283.26 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-4-hydroxy-2-pyridin-3-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 79431652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).