5-amino-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid

C11H12F3N3O2 — CID 114271967

IUPAC5-amino-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
SMILESNc1cc(C(=O)O)cnc1N1CCC(C(F)(F)F)C1
InChIInChI=1S/C11H12F3N3O2/c12-11(13,14)7-1-2-17(5-7)9-8(15)3-6(4-16-9)10(18)19/h3-4,7H,1-2,5,15H2,(H,18,19)
InChIKeyXNIQWMBENWUZRL-UHFFFAOYSA-N
MW275.23 g/mol
LogP1.75
Rot. Bonds2

About 5-amino-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid

5-amino-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 114271967) has the molecular formula C11H12F3N3O2 and a molecular weight of 275.23 g/mol. Its IUPAC name is 5-amino-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
PubChem CID114271967
Molecular FormulaC11H12F3N3O2
Molecular Weight275.23 g/mol
Exact Mass275.09
IUPAC Name5-amino-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
SMILESNc1cc(C(=O)O)cnc1N1CCC(C(F)(F)F)C1
InChIInChI=1S/C11H12F3N3O2/c12-11(13,14)7-1-2-17(5-7)9-8(15)3-6(4-16-9)10(18)19/h3-4,7H,1-2,5,15H2,(H,18,19)
InChIKeyXNIQWMBENWUZRL-UHFFFAOYSA-N
XLogP1.75
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid (CID 114271967) is 5-amino-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid is Nc1cc(C(=O)O)cnc1N1CCC(C(F)(F)F)C1.
What is the InChIKey of 5-amino-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is XNIQWMBENWUZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O2/c12-11(13,14)7-1-2-17(5-7)9-8(15)3-6(4-16-9)10(18)19/h3-4,7H,1-2,5,15H2,(H,18,19).
What are the key properties of 5-amino-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid?
5-amino-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 275.23 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 114271967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).