6-[[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]oxy]pyridine-2-carboxylic acid

C16H9F2N3O3 — CID 59399092

IUPAC6-[[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]oxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Oc2cccc(-c3ccc(F)nc3F)n2)n1
InChIInChI=1S/C16H9F2N3O3/c17-12-8-7-9(15(18)21-12)10-3-1-5-13(19-10)24-14-6-2-4-11(20-14)16(22)23/h1-8H,(H,22,23)
InChIKeyFYYWZDBGIOSHJV-UHFFFAOYSA-N
MW329.26 g/mol
LogP3.31
Rot. Bonds4

About 6-[[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]oxy]pyridine-2-carboxylic acid

6-[[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]oxy]pyridine-2-carboxylic acid (PubChem CID 59399092) has the molecular formula C16H9F2N3O3 and a molecular weight of 329.26 g/mol. Its IUPAC name is 6-[[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]oxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]oxy]pyridine-2-carboxylic acid
PubChem CID59399092
Molecular FormulaC16H9F2N3O3
Molecular Weight329.26 g/mol
Exact Mass329.06
IUPAC Name6-[[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]oxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Oc2cccc(-c3ccc(F)nc3F)n2)n1
InChIInChI=1S/C16H9F2N3O3/c17-12-8-7-9(15(18)21-12)10-3-1-5-13(19-10)24-14-6-2-4-11(20-14)16(22)23/h1-8H,(H,22,23)
InChIKeyFYYWZDBGIOSHJV-UHFFFAOYSA-N
XLogP3.31
TPSA85.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-[[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]oxy]pyridine-2-carboxylic acid with MolForge

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Related Compounds

6-[1-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-1-phenylethyl]pyridine-2-carboxylic acid
CID 59399465
6-[2-[6-(2,6-difluoro-3-pyridinyl)-3-fluoro-2-pyridinyl]propan-2-yl]-5-fluoropyridine-2-carboxylic acid
CID 59399067
6-(2,4-difluorophenoxy)pyridine-2-carboxylic acid
CID 55053506
6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-3-phenylpyridine-2-carboxylic acid
CID 59399388
6-[2-[4-(3,5-difluorophenyl)-6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid
CID 59399154
6-(2,6-dimethoxyphenoxy)pyridine-2-carboxylic acid
CID 62255155
6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
CID 4271775
6-(4-bromo-2-chloro-5-fluorophenoxy)pyridine-2-carboxylic acid
CID 114270905
6-(trideuteriomethoxy)pyridine-2-carboxylic acid
CID 155291992
6-(4-propan-2-ylphenoxy)pyridine-2-carboxylic acid
CID 62253003
CID 91986542
CID 91986542
6-cyclopropyloxypyridine-2-carboxylic acid
CID 146463026

Frequently Asked Questions

What is the IUPAC name of 6-[[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]oxy]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]oxy]pyridine-2-carboxylic acid (CID 59399092) is 6-[[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]oxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]oxy]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]oxy]pyridine-2-carboxylic acid is O=C(O)c1cccc(Oc2cccc(-c3ccc(F)nc3F)n2)n1.
What is the InChIKey of 6-[[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]oxy]pyridine-2-carboxylic acid?
The InChIKey is FYYWZDBGIOSHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F2N3O3/c17-12-8-7-9(15(18)21-12)10-3-1-5-13(19-10)24-14-6-2-4-11(20-14)16(22)23/h1-8H,(H,22,23).
What are the key properties of 6-[[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]oxy]pyridine-2-carboxylic acid?
6-[[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]oxy]pyridine-2-carboxylic acid has a molecular weight of 329.26 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]oxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 59399092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).