2-[cyclopropyl(propyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid

C13H15F3N2O2 — CID 79877297

IUPAC2-[cyclopropyl(propyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCCCN(c1nc(C(F)(F)F)ccc1C(=O)O)C1CC1
InChIInChI=1S/C13H15F3N2O2/c1-2-7-18(8-3-4-8)11-9(12(19)20)5-6-10(17-11)13(14,15)16/h5-6,8H,2-4,7H2,1H3,(H,19,20)
InChIKeyGMONKXOXRGEMEH-UHFFFAOYSA-N
MW288.27 g/mol
LogP3.18
Rot. Bonds5

About 2-[cyclopropyl(propyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid

2-[cyclopropyl(propyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 79877297) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 2-[cyclopropyl(propyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[cyclopropyl(propyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID79877297
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name2-[cyclopropyl(propyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCCCN(c1nc(C(F)(F)F)ccc1C(=O)O)C1CC1
InChIInChI=1S/C13H15F3N2O2/c1-2-7-18(8-3-4-8)11-9(12(19)20)5-6-10(17-11)13(14,15)16/h5-6,8H,2-4,7H2,1H3,(H,19,20)
InChIKeyGMONKXOXRGEMEH-UHFFFAOYSA-N
XLogP3.18
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(propyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-[cyclopropyl(propyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid (CID 79877297) is 2-[cyclopropyl(propyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[cyclopropyl(propyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-[cyclopropyl(propyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid is CCCN(c1nc(C(F)(F)F)ccc1C(=O)O)C1CC1.
What is the InChIKey of 2-[cyclopropyl(propyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is GMONKXOXRGEMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c1-2-7-18(8-3-4-8)11-9(12(19)20)5-6-10(17-11)13(14,15)16/h5-6,8H,2-4,7H2,1H3,(H,19,20).
What are the key properties of 2-[cyclopropyl(propyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid?
2-[cyclopropyl(propyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 288.27 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(propyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 79877297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).