6-[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]pyridine-2-carboxylic acid

C16H16FN3O3 — CID 122056990

IUPAC6-[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCC(Oc3ncccc3F)CC2)n1
InChIInChI=1S/C16H16FN3O3/c17-12-3-2-8-18-15(12)23-11-6-9-20(10-7-11)14-5-1-4-13(19-14)16(21)22/h1-5,8,11H,6-7,9-10H2,(H,21,22)
InChIKeyVHOWSLXONWVCSB-UHFFFAOYSA-N
MW317.32 g/mol
LogP2.36
Rot. Bonds4

About 6-[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]pyridine-2-carboxylic acid

6-[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 122056990) has the molecular formula C16H16FN3O3 and a molecular weight of 317.32 g/mol. Its IUPAC name is 6-[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]pyridine-2-carboxylic acid
PubChem CID122056990
Molecular FormulaC16H16FN3O3
Molecular Weight317.32 g/mol
Exact Mass317.12
IUPAC Name6-[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCC(Oc3ncccc3F)CC2)n1
InChIInChI=1S/C16H16FN3O3/c17-12-3-2-8-18-15(12)23-11-6-9-20(10-7-11)14-5-1-4-13(19-14)16(21)22/h1-5,8,11H,6-7,9-10H2,(H,21,22)
InChIKeyVHOWSLXONWVCSB-UHFFFAOYSA-N
XLogP2.36
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]pyridine-2-carboxylic acid (CID 122056990) is 6-[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]pyridine-2-carboxylic acid is O=C(O)c1cccc(N2CCC(Oc3ncccc3F)CC2)n1.
What is the InChIKey of 6-[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is VHOWSLXONWVCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3/c17-12-3-2-8-18-15(12)23-11-6-9-20(10-7-11)14-5-1-4-13(19-14)16(21)22/h1-5,8,11H,6-7,9-10H2,(H,21,22).
What are the key properties of 6-[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]pyridine-2-carboxylic acid?
6-[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 317.32 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 122056990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).