5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid;2-methylpropan-2-amine

C15H21F3N2O3 — CID 158536635

IUPAC5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid;2-methylpropan-2-amine
SMILESCC(C)(C)N.O=C(O)c1cc(OCC(F)(F)F)c(C2CC2)cn1
InChIInChI=1S/C11H10F3NO3.C4H11N/c12-11(13,14)5-18-9-3-8(10(16)17)15-4-7(9)6-1-2-6;1-4(2,3)5/h3-4,6H,1-2,5H2,(H,16,17);5H2,1-3H3
InChIKeyHOAFTMHTSBCXLA-UHFFFAOYSA-N
MW334.34 g/mol
LogP3.34
Rot. Bonds4

About 5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid;2-methylpropan-2-amine

5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid;2-methylpropan-2-amine (PubChem CID 158536635) has the molecular formula C15H21F3N2O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is 5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid;2-methylpropan-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid;2-methylpropan-2-amine
PubChem CID158536635
Molecular FormulaC15H21F3N2O3
Molecular Weight334.34 g/mol
Exact Mass334.15
IUPAC Name5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid;2-methylpropan-2-amine
SMILESCC(C)(C)N.O=C(O)c1cc(OCC(F)(F)F)c(C2CC2)cn1
InChIInChI=1S/C11H10F3NO3.C4H11N/c12-11(13,14)5-18-9-3-8(10(16)17)15-4-7(9)6-1-2-6;1-4(2,3)5/h3-4,6H,1-2,5H2,(H,16,17);5H2,1-3H3
InChIKeyHOAFTMHTSBCXLA-UHFFFAOYSA-N
XLogP3.34
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid;2-methylpropan-2-amine?
The IUPAC name of 5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid;2-methylpropan-2-amine (CID 158536635) is 5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid;2-methylpropan-2-amine.
What is the SMILES notation for 5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid;2-methylpropan-2-amine?
The canonical SMILES for 5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid;2-methylpropan-2-amine is CC(C)(C)N.O=C(O)c1cc(OCC(F)(F)F)c(C2CC2)cn1.
What is the InChIKey of 5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid;2-methylpropan-2-amine?
The InChIKey is HOAFTMHTSBCXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO3.C4H11N/c12-11(13,14)5-18-9-3-8(10(16)17)15-4-7(9)6-1-2-6;1-4(2,3)5/h3-4,6H,1-2,5H2,(H,16,17);5H2,1-3H3.
What are the key properties of 5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid;2-methylpropan-2-amine?
5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid;2-methylpropan-2-amine has a molecular weight of 334.34 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid;2-methylpropan-2-amine is sourced from PubChem (CID 158536635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).