3-methyl-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid

C9H8F3NO3 — CID 86728163

IUPAC3-methyl-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid
SMILESCc1cc(OCC(F)(F)F)cnc1C(=O)O
InChIInChI=1S/C9H8F3NO3/c1-5-2-6(16-4-9(10,11)12)3-13-7(5)8(14)15/h2-3H,4H2,1H3,(H,14,15)
InChIKeyUKYABNJWLNYALK-UHFFFAOYSA-N
MW235.16 g/mol
LogP2.03
Rot. Bonds3

About 3-methyl-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid

3-methyl-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid (PubChem CID 86728163) has the molecular formula C9H8F3NO3 and a molecular weight of 235.16 g/mol. Its IUPAC name is 3-methyl-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid
PubChem CID86728163
Molecular FormulaC9H8F3NO3
Molecular Weight235.16 g/mol
Exact Mass235.05
IUPAC Name3-methyl-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid
SMILESCc1cc(OCC(F)(F)F)cnc1C(=O)O
InChIInChI=1S/C9H8F3NO3/c1-5-2-6(16-4-9(10,11)12)3-13-7(5)8(14)15/h2-3H,4H2,1H3,(H,14,15)
InChIKeyUKYABNJWLNYALK-UHFFFAOYSA-N
XLogP2.03
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid?
The IUPAC name of 3-methyl-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid (CID 86728163) is 3-methyl-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid is Cc1cc(OCC(F)(F)F)cnc1C(=O)O.
What is the InChIKey of 3-methyl-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid?
The InChIKey is UKYABNJWLNYALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO3/c1-5-2-6(16-4-9(10,11)12)3-13-7(5)8(14)15/h2-3H,4H2,1H3,(H,14,15).
What are the key properties of 3-methyl-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid?
3-methyl-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid has a molecular weight of 235.16 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 86728163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).