2-[6-methoxy-2-methyl-4-(trifluoromethoxy)-3-pyridinyl]acetic acid

C10H10F3NO4 — CID 134670018

IUPAC2-[6-methoxy-2-methyl-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
SMILESCOc1cc(OC(F)(F)F)c(CC(=O)O)c(C)n1
InChIInChI=1S/C10H10F3NO4/c1-5-6(3-9(15)16)7(18-10(11,12)13)4-8(14-5)17-2/h4H,3H2,1-2H3,(H,15,16)
InChIKeyHKJXTIXPXYFVJN-UHFFFAOYSA-N
MW265.19 g/mol
LogP1.92
Rot. Bonds4

About 2-[6-methoxy-2-methyl-4-(trifluoromethoxy)-3-pyridinyl]acetic acid

2-[6-methoxy-2-methyl-4-(trifluoromethoxy)-3-pyridinyl]acetic acid (PubChem CID 134670018) has the molecular formula C10H10F3NO4 and a molecular weight of 265.19 g/mol. Its IUPAC name is 2-[6-methoxy-2-methyl-4-(trifluoromethoxy)-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-methoxy-2-methyl-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
PubChem CID134670018
Molecular FormulaC10H10F3NO4
Molecular Weight265.19 g/mol
Exact Mass265.06
IUPAC Name2-[6-methoxy-2-methyl-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
SMILESCOc1cc(OC(F)(F)F)c(CC(=O)O)c(C)n1
InChIInChI=1S/C10H10F3NO4/c1-5-6(3-9(15)16)7(18-10(11,12)13)4-8(14-5)17-2/h4H,3H2,1-2H3,(H,15,16)
InChIKeyHKJXTIXPXYFVJN-UHFFFAOYSA-N
XLogP1.92
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-methoxy-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134669973
2-[2-iodo-6-methyl-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134661419
methyl 2-[3-(chloromethyl)-6-methoxy-4-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134682639
3-(aminomethyl)-6-methoxy-4-(trifluoromethoxy)pyridin-2-amine
CID 133086223
2-[6-methoxy-3-methyl-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134667952
2-[6-(difluoromethyl)-4-methoxy-2-methyl-3-pyridinyl]acetic acid
CID 133099700
methyl 6-methoxy-3-methyl-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 134666359
6-methoxy-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 134676940
2-[6-iodo-2-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134667065
[6-methoxy-2-nitro-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134682014
2-[2-(aminomethyl)-6-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134660439
2-[2-amino-6-(fluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 119003450

Frequently Asked Questions

What is the IUPAC name of 2-[6-methoxy-2-methyl-4-(trifluoromethoxy)-3-pyridinyl]acetic acid?
The IUPAC name of 2-[6-methoxy-2-methyl-4-(trifluoromethoxy)-3-pyridinyl]acetic acid (CID 134670018) is 2-[6-methoxy-2-methyl-4-(trifluoromethoxy)-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-methoxy-2-methyl-4-(trifluoromethoxy)-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-methoxy-2-methyl-4-(trifluoromethoxy)-3-pyridinyl]acetic acid is COc1cc(OC(F)(F)F)c(CC(=O)O)c(C)n1.
What is the InChIKey of 2-[6-methoxy-2-methyl-4-(trifluoromethoxy)-3-pyridinyl]acetic acid?
The InChIKey is HKJXTIXPXYFVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO4/c1-5-6(3-9(15)16)7(18-10(11,12)13)4-8(14-5)17-2/h4H,3H2,1-2H3,(H,15,16).
What are the key properties of 2-[6-methoxy-2-methyl-4-(trifluoromethoxy)-3-pyridinyl]acetic acid?
2-[6-methoxy-2-methyl-4-(trifluoromethoxy)-3-pyridinyl]acetic acid has a molecular weight of 265.19 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methoxy-2-methyl-4-(trifluoromethoxy)-3-pyridinyl]acetic acid is sourced from PubChem (CID 134670018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).