3-[(3-cyano-2,6-dimethyl-4-pyridinyl)oxy]pyridine-4-carboxylic acid

C14H11N3O3 — CID 81442879

IUPAC3-[(3-cyano-2,6-dimethyl-4-pyridinyl)oxy]pyridine-4-carboxylic acid
SMILESCc1cc(Oc2cnccc2C(=O)O)c(C#N)c(C)n1
InChIInChI=1S/C14H11N3O3/c1-8-5-12(11(6-15)9(2)17-8)20-13-7-16-4-3-10(13)14(18)19/h3-5,7H,1-2H3,(H,18,19)
InChIKeyGJSUYAYWBWMSNA-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.46
Rot. Bonds3

About 3-[(3-cyano-2,6-dimethyl-4-pyridinyl)oxy]pyridine-4-carboxylic acid

3-[(3-cyano-2,6-dimethyl-4-pyridinyl)oxy]pyridine-4-carboxylic acid (PubChem CID 81442879) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 3-[(3-cyano-2,6-dimethyl-4-pyridinyl)oxy]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(3-cyano-2,6-dimethyl-4-pyridinyl)oxy]pyridine-4-carboxylic acid
PubChem CID81442879
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name3-[(3-cyano-2,6-dimethyl-4-pyridinyl)oxy]pyridine-4-carboxylic acid
SMILESCc1cc(Oc2cnccc2C(=O)O)c(C#N)c(C)n1
InChIInChI=1S/C14H11N3O3/c1-8-5-12(11(6-15)9(2)17-8)20-13-7-16-4-3-10(13)14(18)19/h3-5,7H,1-2H3,(H,18,19)
InChIKeyGJSUYAYWBWMSNA-UHFFFAOYSA-N
XLogP2.46
TPSA96.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyano-2,6-dimethyl-4-pyridinyl)oxy]pyridine-4-carboxylic acid?
The IUPAC name of 3-[(3-cyano-2,6-dimethyl-4-pyridinyl)oxy]pyridine-4-carboxylic acid (CID 81442879) is 3-[(3-cyano-2,6-dimethyl-4-pyridinyl)oxy]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[(3-cyano-2,6-dimethyl-4-pyridinyl)oxy]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[(3-cyano-2,6-dimethyl-4-pyridinyl)oxy]pyridine-4-carboxylic acid is Cc1cc(Oc2cnccc2C(=O)O)c(C#N)c(C)n1.
What is the InChIKey of 3-[(3-cyano-2,6-dimethyl-4-pyridinyl)oxy]pyridine-4-carboxylic acid?
The InChIKey is GJSUYAYWBWMSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-8-5-12(11(6-15)9(2)17-8)20-13-7-16-4-3-10(13)14(18)19/h3-5,7H,1-2H3,(H,18,19).
What are the key properties of 3-[(3-cyano-2,6-dimethyl-4-pyridinyl)oxy]pyridine-4-carboxylic acid?
3-[(3-cyano-2,6-dimethyl-4-pyridinyl)oxy]pyridine-4-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyano-2,6-dimethyl-4-pyridinyl)oxy]pyridine-4-carboxylic acid is sourced from PubChem (CID 81442879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).