2-[4-methoxy-2-(trifluoromethyl)pyrimidin-5-yl]acetic acid

C8H7F3N2O3 — CID 83824404

IUPAC2-[4-methoxy-2-(trifluoromethyl)pyrimidin-5-yl]acetic acid
SMILESCOc1nc(C(F)(F)F)ncc1CC(=O)O
InChIInChI=1S/C8H7F3N2O3/c1-16-6-4(2-5(14)15)3-12-7(13-6)8(9,10)11/h3H,2H2,1H3,(H,14,15)
InChIKeyLVBKFKLENODDGC-UHFFFAOYSA-N
MW236.15 g/mol
LogP1.13
Rot. Bonds3

About 2-[4-methoxy-2-(trifluoromethyl)pyrimidin-5-yl]acetic acid

2-[4-methoxy-2-(trifluoromethyl)pyrimidin-5-yl]acetic acid (PubChem CID 83824404) has the molecular formula C8H7F3N2O3 and a molecular weight of 236.15 g/mol. Its IUPAC name is 2-[4-methoxy-2-(trifluoromethyl)pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-methoxy-2-(trifluoromethyl)pyrimidin-5-yl]acetic acid
PubChem CID83824404
Molecular FormulaC8H7F3N2O3
Molecular Weight236.15 g/mol
Exact Mass236.04
IUPAC Name2-[4-methoxy-2-(trifluoromethyl)pyrimidin-5-yl]acetic acid
SMILESCOc1nc(C(F)(F)F)ncc1CC(=O)O
InChIInChI=1S/C8H7F3N2O3/c1-16-6-4(2-5(14)15)3-12-7(13-6)8(9,10)11/h3H,2H2,1H3,(H,14,15)
InChIKeyLVBKFKLENODDGC-UHFFFAOYSA-N
XLogP1.13
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-methoxy-2-(trifluoromethyl)pyrimidin-5-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-Dimethoxy-5-pyrimidineacetic acid
CID 55267501
5-Pyrimidineethanol, 2,4-dimethoxy-
CID 15450835
methyl (E)-2-[4-(ethylideneamino)oxy-2-(trifluoromethyl)pyrimidin-5-yl]-3-methoxyprop-2-enoate;yttrium
CID 59951739
methyl (2E)-2-[4-(ethylideneamino)oxy-2-(trifluoromethyl)pyrimidin-5-yl]-2-methoxyiminoacetate;yttrium
CID 59951763
2-(Difluoromethyl)-5-ethyl-4-methoxypyrimidine
CID 121355359
methyl (2E)-2-[4-hydroxy-2-(trifluoromethyl)pyrimidin-5-yl]-2-methoxyiminoacetate;yttrium
CID 136020271
Ethane;5-ethyl-4-methoxy-2-(trifluoromethyl)pyrimidine
CID 168208155
methyl (E)-2-[4-(ethylideneamino)oxy-2-(trifluoromethyl)pyrimidin-5-yl]-3-methoxyprop-2-enoate
CID 59951740
methyl (2E)-2-[4-(ethylideneamino)oxy-2-(trifluoromethyl)pyrimidin-5-yl]-2-methoxyiminoacetate
CID 59951764
3-[4-Methoxy-2-(trifluoromethyl)pyrimidin-5-yl]propanoic acid
CID 83825394
2-[4-Methoxy-2-(trifluoromethyl)pyrimidin-5-yl]acetaldehyde
CID 83889196
2-[4-Ethoxy-2-(trifluoromethyl)pyrimidin-5-yl]acetaldehyde
CID 83895922

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-2-(trifluoromethyl)pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[4-methoxy-2-(trifluoromethyl)pyrimidin-5-yl]acetic acid (CID 83824404) is 2-[4-methoxy-2-(trifluoromethyl)pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[4-methoxy-2-(trifluoromethyl)pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[4-methoxy-2-(trifluoromethyl)pyrimidin-5-yl]acetic acid is COc1nc(C(F)(F)F)ncc1CC(=O)O.
What is the InChIKey of 2-[4-methoxy-2-(trifluoromethyl)pyrimidin-5-yl]acetic acid?
The InChIKey is LVBKFKLENODDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O3/c1-16-6-4(2-5(14)15)3-12-7(13-6)8(9,10)11/h3H,2H2,1H3,(H,14,15).
What are the key properties of 2-[4-methoxy-2-(trifluoromethyl)pyrimidin-5-yl]acetic acid?
2-[4-methoxy-2-(trifluoromethyl)pyrimidin-5-yl]acetic acid has a molecular weight of 236.15 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-2-(trifluoromethyl)pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 83824404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).