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

C12H7N3O3 — CID 64588607

IUPAC3-[(6-cyano-2-pyridinyl)oxy]pyridine-2-carboxylic acid
SMILESN#Cc1cccc(Oc2cccnc2C(=O)O)n1
InChIInChI=1S/C12H7N3O3/c13-7-8-3-1-5-10(15-8)18-9-4-2-6-14-11(9)12(16)17/h1-6H,(H,16,17)
InChIKeyDSPLFXLIWVAQTO-UHFFFAOYSA-N
MW241.21 g/mol
LogP1.84
Rot. Bonds3

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

3-[(6-cyano-2-pyridinyl)oxy]pyridine-2-carboxylic acid (PubChem CID 64588607) has the molecular formula C12H7N3O3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 3-[(6-cyano-2-pyridinyl)oxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(6-cyano-2-pyridinyl)oxy]pyridine-2-carboxylic acid
PubChem CID64588607
Molecular FormulaC12H7N3O3
Molecular Weight241.21 g/mol
Exact Mass241.05
IUPAC Name3-[(6-cyano-2-pyridinyl)oxy]pyridine-2-carboxylic acid
SMILESN#Cc1cccc(Oc2cccnc2C(=O)O)n1
InChIInChI=1S/C12H7N3O3/c13-7-8-3-1-5-10(15-8)18-9-4-2-6-14-11(9)12(16)17/h1-6H,(H,16,17)
InChIKeyDSPLFXLIWVAQTO-UHFFFAOYSA-N
XLogP1.84
TPSA96.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-cyano-2-pyridinyl)oxy]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(6-cyano-2-pyridinyl)oxy]pyridine-2-carboxylic acid (CID 64588607) is 3-[(6-cyano-2-pyridinyl)oxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(6-cyano-2-pyridinyl)oxy]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(6-cyano-2-pyridinyl)oxy]pyridine-2-carboxylic acid is N#Cc1cccc(Oc2cccnc2C(=O)O)n1.
What is the InChIKey of 3-[(6-cyano-2-pyridinyl)oxy]pyridine-2-carboxylic acid?
The InChIKey is DSPLFXLIWVAQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N3O3/c13-7-8-3-1-5-10(15-8)18-9-4-2-6-14-11(9)12(16)17/h1-6H,(H,16,17).
What are the key properties of 3-[(6-cyano-2-pyridinyl)oxy]pyridine-2-carboxylic acid?
3-[(6-cyano-2-pyridinyl)oxy]pyridine-2-carboxylic acid has a molecular weight of 241.21 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-cyano-2-pyridinyl)oxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 64588607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).