5-chloro-2-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine

C11H7ClF3N3O — CID 169205125

IUPAC5-chloro-2-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine
SMILESCc1ncc(Cl)c(Oc2ccc(C(F)(F)F)nc2)n1
InChIInChI=1S/C11H7ClF3N3O/c1-6-16-5-8(12)10(18-6)19-7-2-3-9(17-4-7)11(13,14)15/h2-5H,1H3
InChIKeyFVDKVCBYLYXIMV-UHFFFAOYSA-N
MW289.64 g/mol
LogP3.64
Rot. Bonds2

About 5-chloro-2-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine

5-chloro-2-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine (PubChem CID 169205125) has the molecular formula C11H7ClF3N3O and a molecular weight of 289.64 g/mol. Its IUPAC name is 5-chloro-2-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine.

Molecular Properties

Compound Name5-chloro-2-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine
PubChem CID169205125
Molecular FormulaC11H7ClF3N3O
Molecular Weight289.64 g/mol
Exact Mass289.02
IUPAC Name5-chloro-2-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine
SMILESCc1ncc(Cl)c(Oc2ccc(C(F)(F)F)nc2)n1
InChIInChI=1S/C11H7ClF3N3O/c1-6-16-5-8(12)10(18-6)19-7-2-3-9(17-4-7)11(13,14)15/h2-5H,1H3
InChIKeyFVDKVCBYLYXIMV-UHFFFAOYSA-N
XLogP3.64
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.64
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine?
The IUPAC name of 5-chloro-2-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine (CID 169205125) is 5-chloro-2-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine.
What is the SMILES notation for 5-chloro-2-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine?
The canonical SMILES for 5-chloro-2-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine is Cc1ncc(Cl)c(Oc2ccc(C(F)(F)F)nc2)n1.
What is the InChIKey of 5-chloro-2-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine?
The InChIKey is FVDKVCBYLYXIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3N3O/c1-6-16-5-8(12)10(18-6)19-7-2-3-9(17-4-7)11(13,14)15/h2-5H,1H3.
What are the key properties of 5-chloro-2-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine?
5-chloro-2-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine has a molecular weight of 289.64 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine is sourced from PubChem (CID 169205125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).