6-amino-5-[(4,4-difluoropyrrolidin-3-yl)methoxy]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid

C13H14F5N3O5 — CID 122439060

IUPAC6-amino-5-[(4,4-difluoropyrrolidin-3-yl)methoxy]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESNc1ncc(C(=O)O)cc1OCC1CNCC1(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C11H13F2N3O3.C2HF3O2/c12-11(13)5-15-3-7(11)4-19-8-1-6(10(17)18)2-16-9(8)14;3-2(4,5)1(6)7/h1-2,7,15H,3-5H2,(H2,14,16)(H,17,18);(H,6,7)
InChIKeyHKTGSXAOGJBRQE-UHFFFAOYSA-N
MW387.26 g/mol
LogP1.23
Rot. Bonds4

About 6-amino-5-[(4,4-difluoropyrrolidin-3-yl)methoxy]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid

6-amino-5-[(4,4-difluoropyrrolidin-3-yl)methoxy]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid (PubChem CID 122439060) has the molecular formula C13H14F5N3O5 and a molecular weight of 387.26 g/mol. Its IUPAC name is 6-amino-5-[(4,4-difluoropyrrolidin-3-yl)methoxy]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-amino-5-[(4,4-difluoropyrrolidin-3-yl)methoxy]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
PubChem CID122439060
Molecular FormulaC13H14F5N3O5
Molecular Weight387.26 g/mol
Exact Mass387.09
IUPAC Name6-amino-5-[(4,4-difluoropyrrolidin-3-yl)methoxy]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESNc1ncc(C(=O)O)cc1OCC1CNCC1(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C11H13F2N3O3.C2HF3O2/c12-11(13)5-15-3-7(11)4-19-8-1-6(10(17)18)2-16-9(8)14;3-2(4,5)1(6)7/h1-2,7,15H,3-5H2,(H2,14,16)(H,17,18);(H,6,7)
InChIKeyHKTGSXAOGJBRQE-UHFFFAOYSA-N
XLogP1.23
TPSA134.77 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.26
LogP ≤ 51.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(4,4-difluoropyrrolidin-3-yl)methoxy]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-amino-5-[(4,4-difluoropyrrolidin-3-yl)methoxy]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid (CID 122439060) is 6-amino-5-[(4,4-difluoropyrrolidin-3-yl)methoxy]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-amino-5-[(4,4-difluoropyrrolidin-3-yl)methoxy]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-amino-5-[(4,4-difluoropyrrolidin-3-yl)methoxy]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid is Nc1ncc(C(=O)O)cc1OCC1CNCC1(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 6-amino-5-[(4,4-difluoropyrrolidin-3-yl)methoxy]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid?
The InChIKey is HKTGSXAOGJBRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O3.C2HF3O2/c12-11(13)5-15-3-7(11)4-19-8-1-6(10(17)18)2-16-9(8)14;3-2(4,5)1(6)7/h1-2,7,15H,3-5H2,(H2,14,16)(H,17,18);(H,6,7).
What are the key properties of 6-amino-5-[(4,4-difluoropyrrolidin-3-yl)methoxy]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid?
6-amino-5-[(4,4-difluoropyrrolidin-3-yl)methoxy]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid has a molecular weight of 387.26 g/mol, XLogP of 1.23, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(4,4-difluoropyrrolidin-3-yl)methoxy]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 122439060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).