5-(3-cyanopropoxy)pyridine-2-carboxylic acid

C10H10N2O3 — CID 79794689

IUPAC5-(3-cyanopropoxy)pyridine-2-carboxylic acid
SMILESN#CCCCOc1ccc(C(=O)O)nc1
InChIInChI=1S/C10H10N2O3/c11-5-1-2-6-15-8-3-4-9(10(13)14)12-7-8/h3-4,7H,1-2,6H2,(H,13,14)
InChIKeyOEAUSLSVRODGGM-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.46
Rot. Bonds5

About 5-(3-cyanopropoxy)pyridine-2-carboxylic acid

5-(3-cyanopropoxy)pyridine-2-carboxylic acid (PubChem CID 79794689) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 5-(3-cyanopropoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-cyanopropoxy)pyridine-2-carboxylic acid
PubChem CID79794689
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name5-(3-cyanopropoxy)pyridine-2-carboxylic acid
SMILESN#CCCCOc1ccc(C(=O)O)nc1
InChIInChI=1S/C10H10N2O3/c11-5-1-2-6-15-8-3-4-9(10(13)14)12-7-8/h3-4,7H,1-2,6H2,(H,13,14)
InChIKeyOEAUSLSVRODGGM-UHFFFAOYSA-N
XLogP1.46
TPSA83.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-cyanopropoxy)pyridine-2-carboxylic acid?
The IUPAC name of 5-(3-cyanopropoxy)pyridine-2-carboxylic acid (CID 79794689) is 5-(3-cyanopropoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(3-cyanopropoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(3-cyanopropoxy)pyridine-2-carboxylic acid is N#CCCCOc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-(3-cyanopropoxy)pyridine-2-carboxylic acid?
The InChIKey is OEAUSLSVRODGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c11-5-1-2-6-15-8-3-4-9(10(13)14)12-7-8/h3-4,7H,1-2,6H2,(H,13,14).
What are the key properties of 5-(3-cyanopropoxy)pyridine-2-carboxylic acid?
5-(3-cyanopropoxy)pyridine-2-carboxylic acid has a molecular weight of 206.20 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyanopropoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 79794689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).