2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoic acid

C9H8ClF3N2O3 — CID 18700273

IUPAC2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoic acid
SMILESCc1nc(OC(C)C(=O)O)c(Cl)c(C(F)(F)F)n1
InChIInChI=1S/C9H8ClF3N2O3/c1-3(8(16)17)18-7-5(10)6(9(11,12)13)14-4(2)15-7/h3H,1-2H3,(H,16,17)
InChIKeyAWUIBAYRPIEQSC-UHFFFAOYSA-N
MW284.62 g/mol
LogP2.31
Rot. Bonds3

About 2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoic acid

2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoic acid (PubChem CID 18700273) has the molecular formula C9H8ClF3N2O3 and a molecular weight of 284.62 g/mol. Its IUPAC name is 2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoic acid
PubChem CID18700273
Molecular FormulaC9H8ClF3N2O3
Molecular Weight284.62 g/mol
Exact Mass284.02
IUPAC Name2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoic acid
SMILESCc1nc(OC(C)C(=O)O)c(Cl)c(C(F)(F)F)n1
InChIInChI=1S/C9H8ClF3N2O3/c1-3(8(16)17)18-7-5(10)6(9(11,12)13)14-4(2)15-7/h3H,1-2H3,(H,16,17)
InChIKeyAWUIBAYRPIEQSC-UHFFFAOYSA-N
XLogP2.31
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.62
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl [(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)oxy]acetate
CID 911298
Ethyl 2-[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoate
CID 18700281
2-[5-Chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoic acid
CID 18700283
5-Chloro-2,4-diethoxy-6-(trifluoromethyl)pyrimidine
CID 13086913
2-{[2-Methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy}acetic acid
CID 94077273
(2-Ethyl-6-trifluoromethyl-pyrimidin-4-yloxy)-acetic acid
CID 94077280
Ethyl 2-((2-methyl-6-(trifluoromethyl)pyrimidin-4-yl)oxy)propanoate
CID 168032616
2-((2-Methyl-6-(trifluoromethyl)pyrimidin-4-yl)oxy)propanoic acid
CID 168032713
Methyl 2-[(5-chloro-4-methoxy-6-methyl-2-pyrimidinyl)oxy]propanoate
CID 12006821
Ethyl [(5-chloro-4-methoxy-6-methyl-2-pyrimidinyl)oxy]acetate
CID 1354710
(5-Chloro-6-methyl-pyrimidin-4-yloxy)-acetic acid
CID 94077094
2-(5-Chloro-6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyacetic acid
CID 94077104

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoic acid?
The IUPAC name of 2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoic acid (CID 18700273) is 2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoic acid?
The canonical SMILES for 2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoic acid is Cc1nc(OC(C)C(=O)O)c(Cl)c(C(F)(F)F)n1.
What is the InChIKey of 2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoic acid?
The InChIKey is AWUIBAYRPIEQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3N2O3/c1-3(8(16)17)18-7-5(10)6(9(11,12)13)14-4(2)15-7/h3H,1-2H3,(H,16,17).
What are the key properties of 2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoic acid?
2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoic acid has a molecular weight of 284.62 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoic acid is sourced from PubChem (CID 18700273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).