6-(4-chloro-2-fluorophenyl)-5-fluoro-1H-pyrimidin-2-one

C10H5ClF2N2O — CID 106519983

IUPAC6-(4-chloro-2-fluorophenyl)-5-fluoro-1H-pyrimidin-2-one
SMILESO=c1ncc(F)c(-c2ccc(Cl)cc2F)[nH]1
InChIInChI=1S/C10H5ClF2N2O/c11-5-1-2-6(7(12)3-5)9-8(13)4-14-10(16)15-9/h1-4H,(H,14,15,16)
InChIKeyOUSRAHDWQFNSPW-UHFFFAOYSA-N
MW242.61 g/mol
LogP2.37
Rot. Bonds1

About 6-(4-chloro-2-fluorophenyl)-5-fluoro-1H-pyrimidin-2-one

6-(4-chloro-2-fluorophenyl)-5-fluoro-1H-pyrimidin-2-one (PubChem CID 106519983) has the molecular formula C10H5ClF2N2O and a molecular weight of 242.61 g/mol. Its IUPAC name is 6-(4-chloro-2-fluorophenyl)-5-fluoro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(4-chloro-2-fluorophenyl)-5-fluoro-1H-pyrimidin-2-one
PubChem CID106519983
Molecular FormulaC10H5ClF2N2O
Molecular Weight242.61 g/mol
Exact Mass242.01
IUPAC Name6-(4-chloro-2-fluorophenyl)-5-fluoro-1H-pyrimidin-2-one
SMILESO=c1ncc(F)c(-c2ccc(Cl)cc2F)[nH]1
InChIInChI=1S/C10H5ClF2N2O/c11-5-1-2-6(7(12)3-5)9-8(13)4-14-10(16)15-9/h1-4H,(H,14,15,16)
InChIKeyOUSRAHDWQFNSPW-UHFFFAOYSA-N
XLogP2.37
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.61
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2-fluorophenyl)-5-fluoro-1H-pyrimidin-2-one?
The IUPAC name of 6-(4-chloro-2-fluorophenyl)-5-fluoro-1H-pyrimidin-2-one (CID 106519983) is 6-(4-chloro-2-fluorophenyl)-5-fluoro-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(4-chloro-2-fluorophenyl)-5-fluoro-1H-pyrimidin-2-one?
The canonical SMILES for 6-(4-chloro-2-fluorophenyl)-5-fluoro-1H-pyrimidin-2-one is O=c1ncc(F)c(-c2ccc(Cl)cc2F)[nH]1.
What is the InChIKey of 6-(4-chloro-2-fluorophenyl)-5-fluoro-1H-pyrimidin-2-one?
The InChIKey is OUSRAHDWQFNSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF2N2O/c11-5-1-2-6(7(12)3-5)9-8(13)4-14-10(16)15-9/h1-4H,(H,14,15,16).
What are the key properties of 6-(4-chloro-2-fluorophenyl)-5-fluoro-1H-pyrimidin-2-one?
6-(4-chloro-2-fluorophenyl)-5-fluoro-1H-pyrimidin-2-one has a molecular weight of 242.61 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-2-fluorophenyl)-5-fluoro-1H-pyrimidin-2-one is sourced from PubChem (CID 106519983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).