5-chloro-4-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one

C11H7ClF3N3O — CID 135482587

IUPAC5-chloro-4-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(C(F)(F)F)cn2)[nH]c(=O)c1Cl
InChIInChI=1S/C11H7ClF3N3O/c1-5-8(12)10(19)18-9(17-5)7-3-2-6(4-16-7)11(13,14)15/h2-4H,1H3,(H,17,18,19)
InChIKeyQKWNVNHJXRRQMC-UHFFFAOYSA-N
MW289.64 g/mol
LogP2.81
Rot. Bonds1

About 5-chloro-4-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one

5-chloro-4-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one (PubChem CID 135482587) has the molecular formula C11H7ClF3N3O and a molecular weight of 289.64 g/mol. Its IUPAC name is 5-chloro-4-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one
PubChem CID135482587
Molecular FormulaC11H7ClF3N3O
Molecular Weight289.64 g/mol
Exact Mass289.02
IUPAC Name5-chloro-4-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(C(F)(F)F)cn2)[nH]c(=O)c1Cl
InChIInChI=1S/C11H7ClF3N3O/c1-5-8(12)10(19)18-9(17-5)7-3-2-6(4-16-7)11(13,14)15/h2-4H,1H3,(H,17,18,19)
InChIKeyQKWNVNHJXRRQMC-UHFFFAOYSA-N
XLogP2.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.64
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one (CID 135482587) is 5-chloro-4-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one is Cc1nc(-c2ccc(C(F)(F)F)cn2)[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one?
The InChIKey is QKWNVNHJXRRQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3N3O/c1-5-8(12)10(19)18-9(17-5)7-3-2-6(4-16-7)11(13,14)15/h2-4H,1H3,(H,17,18,19).
What are the key properties of 5-chloro-4-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one?
5-chloro-4-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one has a molecular weight of 289.64 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135482587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).