2-alumanyl-4-chloro-5-fluoropyridazin-3-one

C4H3AlClFN2O — CID 147756159

IUPAC2-alumanyl-4-chloro-5-fluoropyridazin-3-one
SMILESO=c1c(Cl)c(F)cnn1[AlH2]
InChIInChI=1S/C4H2ClFN2O.Al.2H/c5-3-2(6)1-7-8-4(3)9;;;/h1H,(H,8,9);;;/q;+1;;/p-1
InChIKeyHDDTZMFLLUVKGO-UHFFFAOYSA-M
MW176.51 g/mol
LogP-0.57
Rot. Bonds

About 2-alumanyl-4-chloro-5-fluoropyridazin-3-one

2-alumanyl-4-chloro-5-fluoropyridazin-3-one (PubChem CID 147756159) has the molecular formula C4H3AlClFN2O and a molecular weight of 176.51 g/mol. Its IUPAC name is 2-alumanyl-4-chloro-5-fluoropyridazin-3-one.

Molecular Properties

Compound Name2-alumanyl-4-chloro-5-fluoropyridazin-3-one
PubChem CID147756159
Molecular FormulaC4H3AlClFN2O
Molecular Weight176.51 g/mol
Exact Mass175.97
IUPAC Name2-alumanyl-4-chloro-5-fluoropyridazin-3-one
SMILESO=c1c(Cl)c(F)cnn1[AlH2]
InChIInChI=1S/C4H2ClFN2O.Al.2H/c5-3-2(6)1-7-8-4(3)9;;;/h1H,(H,8,9);;;/q;+1;;/p-1
InChIKeyHDDTZMFLLUVKGO-UHFFFAOYSA-M
XLogP-0.57
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.51
LogP ≤ 5-0.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-alumanyl-4-chloro-5-fluoropyridazin-3-one?
The IUPAC name of 2-alumanyl-4-chloro-5-fluoropyridazin-3-one (CID 147756159) is 2-alumanyl-4-chloro-5-fluoropyridazin-3-one.
What is the SMILES notation for 2-alumanyl-4-chloro-5-fluoropyridazin-3-one?
The canonical SMILES for 2-alumanyl-4-chloro-5-fluoropyridazin-3-one is O=c1c(Cl)c(F)cnn1[AlH2].
What is the InChIKey of 2-alumanyl-4-chloro-5-fluoropyridazin-3-one?
The InChIKey is HDDTZMFLLUVKGO-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H2ClFN2O.Al.2H/c5-3-2(6)1-7-8-4(3)9;;;/h1H,(H,8,9);;;/q;+1;;/p-1.
What are the key properties of 2-alumanyl-4-chloro-5-fluoropyridazin-3-one?
2-alumanyl-4-chloro-5-fluoropyridazin-3-one has a molecular weight of 176.51 g/mol, XLogP of -0.57, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-alumanyl-4-chloro-5-fluoropyridazin-3-one is sourced from PubChem (CID 147756159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).