6-spiro[3.5]nonan-2-yloxypyridazine-3-carboxylic acid

C14H18N2O3 — CID 176985592

IUPAC6-spiro[3.5]nonan-2-yloxypyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(OC2CC3(CCCCC3)C2)nn1
InChIInChI=1S/C14H18N2O3/c17-13(18)11-4-5-12(16-15-11)19-10-8-14(9-10)6-2-1-3-7-14/h4-5,10H,1-3,6-9H2,(H,17,18)
InChIKeyHLYDQQIHKKKDCK-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.67
Rot. Bonds3

About 6-spiro[3.5]nonan-2-yloxypyridazine-3-carboxylic acid

6-spiro[3.5]nonan-2-yloxypyridazine-3-carboxylic acid (PubChem CID 176985592) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 6-spiro[3.5]nonan-2-yloxypyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-spiro[3.5]nonan-2-yloxypyridazine-3-carboxylic acid
PubChem CID176985592
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name6-spiro[3.5]nonan-2-yloxypyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(OC2CC3(CCCCC3)C2)nn1
InChIInChI=1S/C14H18N2O3/c17-13(18)11-4-5-12(16-15-11)19-10-8-14(9-10)6-2-1-3-7-14/h4-5,10H,1-3,6-9H2,(H,17,18)
InChIKeyHLYDQQIHKKKDCK-UHFFFAOYSA-N
XLogP2.67
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-spiro[3.5]nonan-2-yloxypyridazine-3-carboxylic acid?
The IUPAC name of 6-spiro[3.5]nonan-2-yloxypyridazine-3-carboxylic acid (CID 176985592) is 6-spiro[3.5]nonan-2-yloxypyridazine-3-carboxylic acid.
What is the SMILES notation for 6-spiro[3.5]nonan-2-yloxypyridazine-3-carboxylic acid?
The canonical SMILES for 6-spiro[3.5]nonan-2-yloxypyridazine-3-carboxylic acid is O=C(O)c1ccc(OC2CC3(CCCCC3)C2)nn1.
What is the InChIKey of 6-spiro[3.5]nonan-2-yloxypyridazine-3-carboxylic acid?
The InChIKey is HLYDQQIHKKKDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-13(18)11-4-5-12(16-15-11)19-10-8-14(9-10)6-2-1-3-7-14/h4-5,10H,1-3,6-9H2,(H,17,18).
What are the key properties of 6-spiro[3.5]nonan-2-yloxypyridazine-3-carboxylic acid?
6-spiro[3.5]nonan-2-yloxypyridazine-3-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-spiro[3.5]nonan-2-yloxypyridazine-3-carboxylic acid is sourced from PubChem (CID 176985592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).