1-(2,6-difluorophenyl)-6-methyl-4-oxopyridazine-3-carbaldehyde

C12H8F2N2O2 — CID 82420820

IUPAC1-(2,6-difluorophenyl)-6-methyl-4-oxopyridazine-3-carbaldehyde
SMILESCc1cc(=O)c(C=O)nn1-c1c(F)cccc1F
InChIInChI=1S/C12H8F2N2O2/c1-7-5-11(18)10(6-17)15-16(7)12-8(13)3-2-4-9(12)14/h2-6H,1H3
InChIKeyQJOPUVWUECKJEQ-UHFFFAOYSA-N
MW250.20 g/mol
LogP1.63
Rot. Bonds2

About 1-(2,6-difluorophenyl)-6-methyl-4-oxopyridazine-3-carbaldehyde

1-(2,6-difluorophenyl)-6-methyl-4-oxopyridazine-3-carbaldehyde (PubChem CID 82420820) has the molecular formula C12H8F2N2O2 and a molecular weight of 250.20 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-6-methyl-4-oxopyridazine-3-carbaldehyde.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-6-methyl-4-oxopyridazine-3-carbaldehyde
PubChem CID82420820
Molecular FormulaC12H8F2N2O2
Molecular Weight250.20 g/mol
Exact Mass250.06
IUPAC Name1-(2,6-difluorophenyl)-6-methyl-4-oxopyridazine-3-carbaldehyde
SMILESCc1cc(=O)c(C=O)nn1-c1c(F)cccc1F
InChIInChI=1S/C12H8F2N2O2/c1-7-5-11(18)10(6-17)15-16(7)12-8(13)3-2-4-9(12)14/h2-6H,1H3
InChIKeyQJOPUVWUECKJEQ-UHFFFAOYSA-N
XLogP1.63
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.20
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-6-methyl-4-oxopyridazine-3-carbaldehyde?
The IUPAC name of 1-(2,6-difluorophenyl)-6-methyl-4-oxopyridazine-3-carbaldehyde (CID 82420820) is 1-(2,6-difluorophenyl)-6-methyl-4-oxopyridazine-3-carbaldehyde.
What is the SMILES notation for 1-(2,6-difluorophenyl)-6-methyl-4-oxopyridazine-3-carbaldehyde?
The canonical SMILES for 1-(2,6-difluorophenyl)-6-methyl-4-oxopyridazine-3-carbaldehyde is Cc1cc(=O)c(C=O)nn1-c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-6-methyl-4-oxopyridazine-3-carbaldehyde?
The InChIKey is QJOPUVWUECKJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2O2/c1-7-5-11(18)10(6-17)15-16(7)12-8(13)3-2-4-9(12)14/h2-6H,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-6-methyl-4-oxopyridazine-3-carbaldehyde?
1-(2,6-difluorophenyl)-6-methyl-4-oxopyridazine-3-carbaldehyde has a molecular weight of 250.20 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-6-methyl-4-oxopyridazine-3-carbaldehyde is sourced from PubChem (CID 82420820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).