5-cyclopropyl-4-(1,2,2-trifluoroethoxy)pyridine-2-carboxylic acid

C11H10F3NO3 — CID 175494363

IUPAC5-cyclopropyl-4-(1,2,2-trifluoroethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(OC(F)C(F)F)c(C2CC2)cn1
InChIInChI=1S/C11H10F3NO3/c12-9(13)10(14)18-8-3-7(11(16)17)15-4-6(8)5-1-2-5/h3-5,9-10H,1-2H2,(H,16,17)
InChIKeyXTSOYJYFRRMNFG-UHFFFAOYSA-N
MW261.20 g/mol
LogP2.60
Rot. Bonds5

About 5-cyclopropyl-4-(1,2,2-trifluoroethoxy)pyridine-2-carboxylic acid

5-cyclopropyl-4-(1,2,2-trifluoroethoxy)pyridine-2-carboxylic acid (PubChem CID 175494363) has the molecular formula C11H10F3NO3 and a molecular weight of 261.20 g/mol. Its IUPAC name is 5-cyclopropyl-4-(1,2,2-trifluoroethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-4-(1,2,2-trifluoroethoxy)pyridine-2-carboxylic acid
PubChem CID175494363
Molecular FormulaC11H10F3NO3
Molecular Weight261.20 g/mol
Exact Mass261.06
IUPAC Name5-cyclopropyl-4-(1,2,2-trifluoroethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(OC(F)C(F)F)c(C2CC2)cn1
InChIInChI=1S/C11H10F3NO3/c12-9(13)10(14)18-8-3-7(11(16)17)15-4-6(8)5-1-2-5/h3-5,9-10H,1-2H2,(H,16,17)
InChIKeyXTSOYJYFRRMNFG-UHFFFAOYSA-N
XLogP2.60
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-(1,2,2-trifluoroethoxy)pyridine-2-carboxylic acid?
The IUPAC name of 5-cyclopropyl-4-(1,2,2-trifluoroethoxy)pyridine-2-carboxylic acid (CID 175494363) is 5-cyclopropyl-4-(1,2,2-trifluoroethoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-4-(1,2,2-trifluoroethoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-4-(1,2,2-trifluoroethoxy)pyridine-2-carboxylic acid is O=C(O)c1cc(OC(F)C(F)F)c(C2CC2)cn1.
What is the InChIKey of 5-cyclopropyl-4-(1,2,2-trifluoroethoxy)pyridine-2-carboxylic acid?
The InChIKey is XTSOYJYFRRMNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO3/c12-9(13)10(14)18-8-3-7(11(16)17)15-4-6(8)5-1-2-5/h3-5,9-10H,1-2H2,(H,16,17).
What are the key properties of 5-cyclopropyl-4-(1,2,2-trifluoroethoxy)pyridine-2-carboxylic acid?
5-cyclopropyl-4-(1,2,2-trifluoroethoxy)pyridine-2-carboxylic acid has a molecular weight of 261.20 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-(1,2,2-trifluoroethoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 175494363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).