5-[(2-cyano-3-pyridinyl)methoxy]pyridine-3-carboxylic acid

C13H9N3O3 — CID 63852541

IUPAC5-[(2-cyano-3-pyridinyl)methoxy]pyridine-3-carboxylic acid
SMILESN#Cc1ncccc1COc1cncc(C(=O)O)c1
InChIInChI=1S/C13H9N3O3/c14-5-12-9(2-1-3-16-12)8-19-11-4-10(13(17)18)6-15-7-11/h1-4,6-7H,8H2,(H,17,18)
InChIKeyWWRYKIPORMWKJV-UHFFFAOYSA-N
MW255.23 g/mol
LogP1.63
Rot. Bonds4

About 5-[(2-cyano-3-pyridinyl)methoxy]pyridine-3-carboxylic acid

5-[(2-cyano-3-pyridinyl)methoxy]pyridine-3-carboxylic acid (PubChem CID 63852541) has the molecular formula C13H9N3O3 and a molecular weight of 255.23 g/mol. Its IUPAC name is 5-[(2-cyano-3-pyridinyl)methoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-cyano-3-pyridinyl)methoxy]pyridine-3-carboxylic acid
PubChem CID63852541
Molecular FormulaC13H9N3O3
Molecular Weight255.23 g/mol
Exact Mass255.06
IUPAC Name5-[(2-cyano-3-pyridinyl)methoxy]pyridine-3-carboxylic acid
SMILESN#Cc1ncccc1COc1cncc(C(=O)O)c1
InChIInChI=1S/C13H9N3O3/c14-5-12-9(2-1-3-16-12)8-19-11-4-10(13(17)18)6-15-7-11/h1-4,6-7H,8H2,(H,17,18)
InChIKeyWWRYKIPORMWKJV-UHFFFAOYSA-N
XLogP1.63
TPSA96.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyano-3-pyridinyl)methoxy]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(2-cyano-3-pyridinyl)methoxy]pyridine-3-carboxylic acid (CID 63852541) is 5-[(2-cyano-3-pyridinyl)methoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(2-cyano-3-pyridinyl)methoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(2-cyano-3-pyridinyl)methoxy]pyridine-3-carboxylic acid is N#Cc1ncccc1COc1cncc(C(=O)O)c1.
What is the InChIKey of 5-[(2-cyano-3-pyridinyl)methoxy]pyridine-3-carboxylic acid?
The InChIKey is WWRYKIPORMWKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O3/c14-5-12-9(2-1-3-16-12)8-19-11-4-10(13(17)18)6-15-7-11/h1-4,6-7H,8H2,(H,17,18).
What are the key properties of 5-[(2-cyano-3-pyridinyl)methoxy]pyridine-3-carboxylic acid?
5-[(2-cyano-3-pyridinyl)methoxy]pyridine-3-carboxylic acid has a molecular weight of 255.23 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyano-3-pyridinyl)methoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 63852541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).