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

C8H6ClF3N2O2 — CID 18983895

IUPAC2-[4-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]acetic acid
SMILESCc1nc(Cl)c(CC(=O)O)c(C(F)(F)F)n1
InChIInChI=1S/C8H6ClF3N2O2/c1-3-13-6(8(10,11)12)4(2-5(15)16)7(9)14-3/h2H2,1H3,(H,15,16)
InChIKeyKRDWEFXTBUMEAX-UHFFFAOYSA-N
MW254.59 g/mol
LogP2.08
Rot. Bonds2

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

2-[4-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]acetic acid (PubChem CID 18983895) has the molecular formula C8H6ClF3N2O2 and a molecular weight of 254.59 g/mol. Its IUPAC name is 2-[4-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]acetic acid
PubChem CID18983895
Molecular FormulaC8H6ClF3N2O2
Molecular Weight254.59 g/mol
Exact Mass254.01
IUPAC Name2-[4-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]acetic acid
SMILESCc1nc(Cl)c(CC(=O)O)c(C(F)(F)F)n1
InChIInChI=1S/C8H6ClF3N2O2/c1-3-13-6(8(10,11)12)4(2-5(15)16)7(9)14-3/h2H2,1H3,(H,15,16)
InChIKeyKRDWEFXTBUMEAX-UHFFFAOYSA-N
XLogP2.08
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.59
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Ethyl-4,6-dimethylpyrimidin-5-yl)acetic acid hydrochloride
CID 126796283
Ethyl (4-Chloro-2-methyl-6-trifluoromethylpyrimidin-5-yl)acetate
CID 19876782
2-[4-Chloro-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]butanoic acid
CID 53926251
Ethyl 2-(2-amino-4-chloro-6-(trifluoromethyl)pyrimidin-5-yl)acetate
CID 58278401
2-[4,6-Dimethyl-2-(trifluoromethyl)pyrimidin-5-yl]acetic acid
CID 174589890
2-[4-Chloro-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]acetate
CID 18983894
2-[4,6-Dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propanoic acid
CID 55062883
2-(2-Ethyl-4,6-dimethylpyrimidin-5-yl)acetic acid
CID 61269025
2-[4,6-Dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]acetic acid
CID 61392786
2-[4,6-Diethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]acetic acid
CID 79218266
2-[4,6-Dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]acetic acid
CID 79964066
2-[4,6-Dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]propanoic acid
CID 79964411

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[4-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]acetic acid (CID 18983895) is 2-[4-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[4-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[4-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]acetic acid is Cc1nc(Cl)c(CC(=O)O)c(C(F)(F)F)n1.
What is the InChIKey of 2-[4-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]acetic acid?
The InChIKey is KRDWEFXTBUMEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3N2O2/c1-3-13-6(8(10,11)12)4(2-5(15)16)7(9)14-3/h2H2,1H3,(H,15,16).
What are the key properties of 2-[4-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]acetic acid?
2-[4-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]acetic acid has a molecular weight of 254.59 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 18983895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).