2-(6-chlorohexyl)-1H-pyridazine-3,6-dione

C10H15ClN2O2 — CID 62228366

IUPAC2-(6-chlorohexyl)-1H-pyridazine-3,6-dione
SMILESO=c1ccc(=O)n(CCCCCCCl)[nH]1
InChIInChI=1S/C10H15ClN2O2/c11-7-3-1-2-4-8-13-10(15)6-5-9(14)12-13/h5-6H,1-4,7-8H2,(H,12,14)
InChIKeyBZRFSUWBAAQQDA-UHFFFAOYSA-N
MW230.69 g/mol
LogP1.34
Rot. Bonds6

About 2-(6-chlorohexyl)-1H-pyridazine-3,6-dione

2-(6-chlorohexyl)-1H-pyridazine-3,6-dione (PubChem CID 62228366) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 2-(6-chlorohexyl)-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-(6-chlorohexyl)-1H-pyridazine-3,6-dione
PubChem CID62228366
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name2-(6-chlorohexyl)-1H-pyridazine-3,6-dione
SMILESO=c1ccc(=O)n(CCCCCCCl)[nH]1
InChIInChI=1S/C10H15ClN2O2/c11-7-3-1-2-4-8-13-10(15)6-5-9(14)12-13/h5-6H,1-4,7-8H2,(H,12,14)
InChIKeyBZRFSUWBAAQQDA-UHFFFAOYSA-N
XLogP1.34
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloropiperidin-1-yl)prop-2-enamide
CID 23039336
2-pentyl-1H-pyridazine-3,6-dione
CID 70599423
1-(3-Chloropropyl)-1,2-dihydropyridazine-3,6-dione
CID 16792448
2-(5-chloropentyl)-1H-pyridazine-3,6-dione
CID 43348318
2-(5-aminopentyl)-1H-pyridazine-3,6-dione
CID 61524801
2-(4-chlorobutyl)-1H-pyridazine-3,6-dione
CID 61721988
2-(3-chloro-2-methylpropyl)-1H-pyridazine-3,6-dione
CID 64230715
2-[(E)-4-chlorobut-2-enyl]-1H-pyridazine-3,6-dione
CID 64681013
2-(5-chloro-3-methylpentyl)-1H-pyridazine-3,6-dione
CID 65665587
2-(4-chlorobut-2-enyl)-1H-pyridazine-3,6-dione
CID 78996935
2-[2-(chloromethyl)prop-2-enyl]-1H-pyridazine-3,6-dione
CID 103065657

Frequently Asked Questions

What is the IUPAC name of 2-(6-chlorohexyl)-1H-pyridazine-3,6-dione?
The IUPAC name of 2-(6-chlorohexyl)-1H-pyridazine-3,6-dione (CID 62228366) is 2-(6-chlorohexyl)-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-(6-chlorohexyl)-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-(6-chlorohexyl)-1H-pyridazine-3,6-dione is O=c1ccc(=O)n(CCCCCCCl)[nH]1.
What is the InChIKey of 2-(6-chlorohexyl)-1H-pyridazine-3,6-dione?
The InChIKey is BZRFSUWBAAQQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2/c11-7-3-1-2-4-8-13-10(15)6-5-9(14)12-13/h5-6H,1-4,7-8H2,(H,12,14).
What are the key properties of 2-(6-chlorohexyl)-1H-pyridazine-3,6-dione?
2-(6-chlorohexyl)-1H-pyridazine-3,6-dione has a molecular weight of 230.69 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chlorohexyl)-1H-pyridazine-3,6-dione is sourced from PubChem (CID 62228366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).