2-ethoxy-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid

C10H10F3NO3 — CID 69019134

IUPAC2-ethoxy-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCCOc1nc(C(F)(F)F)cc(C)c1C(=O)O
InChIInChI=1S/C10H10F3NO3/c1-3-17-8-7(9(15)16)5(2)4-6(14-8)10(11,12)13/h4H,3H2,1-2H3,(H,15,16)
InChIKeyBPWCORDZEUKRMB-UHFFFAOYSA-N
MW249.19 g/mol
LogP2.51
Rot. Bonds3

About 2-ethoxy-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid

2-ethoxy-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 69019134) has the molecular formula C10H10F3NO3 and a molecular weight of 249.19 g/mol. Its IUPAC name is 2-ethoxy-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-ethoxy-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID69019134
Molecular FormulaC10H10F3NO3
Molecular Weight249.19 g/mol
Exact Mass249.06
IUPAC Name2-ethoxy-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCCOc1nc(C(F)(F)F)cc(C)c1C(=O)O
InChIInChI=1S/C10H10F3NO3/c1-3-17-8-7(9(15)16)5(2)4-6(14-8)10(11,12)13/h4H,3H2,1-2H3,(H,15,16)
InChIKeyBPWCORDZEUKRMB-UHFFFAOYSA-N
XLogP2.51
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-ethoxy-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid (CID 69019134) is 2-ethoxy-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-ethoxy-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-ethoxy-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid is CCOc1nc(C(F)(F)F)cc(C)c1C(=O)O.
What is the InChIKey of 2-ethoxy-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is BPWCORDZEUKRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3/c1-3-17-8-7(9(15)16)5(2)4-6(14-8)10(11,12)13/h4H,3H2,1-2H3,(H,15,16).
What are the key properties of 2-ethoxy-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid?
2-ethoxy-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 249.19 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 69019134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).