4-(3-chloro-4-fluorophenyl)-1H-pyrimidin-6-one

C10H6ClFN2O — CID 136769989

IUPAC4-(3-chloro-4-fluorophenyl)-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccc(F)c(Cl)c2)nc[nH]1
InChIInChI=1S/C10H6ClFN2O/c11-7-3-6(1-2-8(7)12)9-4-10(15)14-5-13-9/h1-5H,(H,13,14,15)
InChIKeyHORKUWFDPHCWQD-UHFFFAOYSA-N
MW224.62 g/mol
LogP2.23
Rot. Bonds1

About 4-(3-chloro-4-fluorophenyl)-1H-pyrimidin-6-one

4-(3-chloro-4-fluorophenyl)-1H-pyrimidin-6-one (PubChem CID 136769989) has the molecular formula C10H6ClFN2O and a molecular weight of 224.62 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)-1H-pyrimidin-6-one
PubChem CID136769989
Molecular FormulaC10H6ClFN2O
Molecular Weight224.62 g/mol
Exact Mass224.02
IUPAC Name4-(3-chloro-4-fluorophenyl)-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccc(F)c(Cl)c2)nc[nH]1
InChIInChI=1S/C10H6ClFN2O/c11-7-3-6(1-2-8(7)12)9-4-10(15)14-5-13-9/h1-5H,(H,13,14,15)
InChIKeyHORKUWFDPHCWQD-UHFFFAOYSA-N
XLogP2.23
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.62
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)-1H-pyrimidin-6-one (CID 136769989) is 4-(3-chloro-4-fluorophenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)-1H-pyrimidin-6-one is O=c1cc(-c2ccc(F)c(Cl)c2)nc[nH]1.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)-1H-pyrimidin-6-one?
The InChIKey is HORKUWFDPHCWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN2O/c11-7-3-6(1-2-8(7)12)9-4-10(15)14-5-13-9/h1-5H,(H,13,14,15).
What are the key properties of 4-(3-chloro-4-fluorophenyl)-1H-pyrimidin-6-one?
4-(3-chloro-4-fluorophenyl)-1H-pyrimidin-6-one has a molecular weight of 224.62 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136769989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).