2-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one

C11H8ClFN2O2 — CID 63612594

IUPAC2-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(Cc2ccc(F)cc2Cl)[nH]1
InChIInChI=1S/C11H8ClFN2O2/c12-8-4-7(13)2-1-6(8)3-9-14-10(16)5-11(17)15-9/h1-2,4-5H,3H2,(H2,14,15,16,17)
InChIKeyPZHJEARSIGIOJY-UHFFFAOYSA-N
MW254.65 g/mol
LogP1.86
Rot. Bonds2

About 2-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one

2-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 63612594) has the molecular formula C11H8ClFN2O2 and a molecular weight of 254.65 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one
PubChem CID63612594
Molecular FormulaC11H8ClFN2O2
Molecular Weight254.65 g/mol
Exact Mass254.03
IUPAC Name2-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(Cc2ccc(F)cc2Cl)[nH]1
InChIInChI=1S/C11H8ClFN2O2/c12-8-4-7(13)2-1-6(8)3-9-14-10(16)5-11(17)15-9/h1-2,4-5H,3H2,(H2,14,15,16,17)
InChIKeyPZHJEARSIGIOJY-UHFFFAOYSA-N
XLogP1.86
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.65
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one (CID 63612594) is 2-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one is O=c1cc(O)nc(Cc2ccc(F)cc2Cl)[nH]1.
What is the InChIKey of 2-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is PZHJEARSIGIOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O2/c12-8-4-7(13)2-1-6(8)3-9-14-10(16)5-11(17)15-9/h1-2,4-5H,3H2,(H2,14,15,16,17).
What are the key properties of 2-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one?
2-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 254.65 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 63612594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).