4-chloro-2-(fluoromethyl)-1H-pyrimidin-6-one

C5H4ClFN2O — CID 137273170

IUPAC4-chloro-2-(fluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(Cl)nc(CF)[nH]1
InChIInChI=1S/C5H4ClFN2O/c6-3-1-5(10)9-4(2-7)8-3/h1H,2H2,(H,8,9,10)
InChIKeyLAIIEKDSJCEJAR-UHFFFAOYSA-N
MW162.55 g/mol
LogP0.89
Rot. Bonds1

About 4-chloro-2-(fluoromethyl)-1H-pyrimidin-6-one

4-chloro-2-(fluoromethyl)-1H-pyrimidin-6-one (PubChem CID 137273170) has the molecular formula C5H4ClFN2O and a molecular weight of 162.55 g/mol. Its IUPAC name is 4-chloro-2-(fluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-chloro-2-(fluoromethyl)-1H-pyrimidin-6-one
PubChem CID137273170
Molecular FormulaC5H4ClFN2O
Molecular Weight162.55 g/mol
Exact Mass162.00
IUPAC Name4-chloro-2-(fluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(Cl)nc(CF)[nH]1
InChIInChI=1S/C5H4ClFN2O/c6-3-1-5(10)9-4(2-7)8-3/h1H,2H2,(H,8,9,10)
InChIKeyLAIIEKDSJCEJAR-UHFFFAOYSA-N
XLogP0.89
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.55
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(fluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-chloro-2-(fluoromethyl)-1H-pyrimidin-6-one (CID 137273170) is 4-chloro-2-(fluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-chloro-2-(fluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-chloro-2-(fluoromethyl)-1H-pyrimidin-6-one is O=c1cc(Cl)nc(CF)[nH]1.
What is the InChIKey of 4-chloro-2-(fluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is LAIIEKDSJCEJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClFN2O/c6-3-1-5(10)9-4(2-7)8-3/h1H,2H2,(H,8,9,10).
What are the key properties of 4-chloro-2-(fluoromethyl)-1H-pyrimidin-6-one?
4-chloro-2-(fluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 162.55 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(fluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137273170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).