4-(2,3-dichlorophenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one

C11H5Cl2F3N2O — CID 136802798

IUPAC4-(2,3-dichlorophenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(-c2cccc(Cl)c2Cl)nc(C(F)(F)F)[nH]1
InChIInChI=1S/C11H5Cl2F3N2O/c12-6-3-1-2-5(9(6)13)7-4-8(19)18-10(17-7)11(14,15)16/h1-4H,(H,17,18,19)
InChIKeyUAOYLESUJZGIPD-UHFFFAOYSA-N
MW309.07 g/mol
LogP3.76
Rot. Bonds1

About 4-(2,3-dichlorophenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one

4-(2,3-dichlorophenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 136802798) has the molecular formula C11H5Cl2F3N2O and a molecular weight of 309.07 g/mol. Its IUPAC name is 4-(2,3-dichlorophenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,3-dichlorophenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID136802798
Molecular FormulaC11H5Cl2F3N2O
Molecular Weight309.07 g/mol
Exact Mass307.97
IUPAC Name4-(2,3-dichlorophenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(-c2cccc(Cl)c2Cl)nc(C(F)(F)F)[nH]1
InChIInChI=1S/C11H5Cl2F3N2O/c12-6-3-1-2-5(9(6)13)7-4-8(19)18-10(17-7)11(14,15)16/h1-4H,(H,17,18,19)
InChIKeyUAOYLESUJZGIPD-UHFFFAOYSA-N
XLogP3.76
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.07
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichlorophenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,3-dichlorophenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one (CID 136802798) is 4-(2,3-dichlorophenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,3-dichlorophenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,3-dichlorophenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one is O=c1cc(-c2cccc(Cl)c2Cl)nc(C(F)(F)F)[nH]1.
What is the InChIKey of 4-(2,3-dichlorophenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is UAOYLESUJZGIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2F3N2O/c12-6-3-1-2-5(9(6)13)7-4-8(19)18-10(17-7)11(14,15)16/h1-4H,(H,17,18,19).
What are the key properties of 4-(2,3-dichlorophenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one?
4-(2,3-dichlorophenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 309.07 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichlorophenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136802798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).