1-nonyl-6-oxopyridazine-3-carboxylic acid

C14H22N2O3 — CID 114695797

IUPAC1-nonyl-6-oxopyridazine-3-carboxylic acid
SMILESCCCCCCCCCn1nc(C(=O)O)ccc1=O
InChIInChI=1S/C14H22N2O3/c1-2-3-4-5-6-7-8-11-16-13(17)10-9-12(15-16)14(18)19/h9-10H,2-8,11H2,1H3,(H,18,19)
InChIKeyOVZZAARWWSXIRZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.69
Rot. Bonds9

About 1-nonyl-6-oxopyridazine-3-carboxylic acid

1-nonyl-6-oxopyridazine-3-carboxylic acid (PubChem CID 114695797) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-nonyl-6-oxopyridazine-3-carboxylic acid.

Molecular Properties

Compound Name1-nonyl-6-oxopyridazine-3-carboxylic acid
PubChem CID114695797
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-nonyl-6-oxopyridazine-3-carboxylic acid
SMILESCCCCCCCCCn1nc(C(=O)O)ccc1=O
InChIInChI=1S/C14H22N2O3/c1-2-3-4-5-6-7-8-11-16-13(17)10-9-12(15-16)14(18)19/h9-10H,2-8,11H2,1H3,(H,18,19)
InChIKeyOVZZAARWWSXIRZ-UHFFFAOYSA-N
XLogP2.69
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.69
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 1-nonyl-6-oxopyridazine-3-carboxylic acid?
The IUPAC name of 1-nonyl-6-oxopyridazine-3-carboxylic acid (CID 114695797) is 1-nonyl-6-oxopyridazine-3-carboxylic acid.
What is the SMILES notation for 1-nonyl-6-oxopyridazine-3-carboxylic acid?
The canonical SMILES for 1-nonyl-6-oxopyridazine-3-carboxylic acid is CCCCCCCCCn1nc(C(=O)O)ccc1=O.
What is the InChIKey of 1-nonyl-6-oxopyridazine-3-carboxylic acid?
The InChIKey is OVZZAARWWSXIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-2-3-4-5-6-7-8-11-16-13(17)10-9-12(15-16)14(18)19/h9-10H,2-8,11H2,1H3,(H,18,19).
What are the key properties of 1-nonyl-6-oxopyridazine-3-carboxylic acid?
1-nonyl-6-oxopyridazine-3-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 2.69, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonyl-6-oxopyridazine-3-carboxylic acid is sourced from PubChem (CID 114695797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).