6-(3-fluoro-4-propan-2-yloxyphenyl)pyridazine-3-carbaldehyde

C14H13FN2O2 — CID 82301440

IUPAC6-(3-fluoro-4-propan-2-yloxyphenyl)pyridazine-3-carbaldehyde
SMILESCC(C)Oc1ccc(-c2ccc(C=O)nn2)cc1F
InChIInChI=1S/C14H13FN2O2/c1-9(2)19-14-6-3-10(7-12(14)15)13-5-4-11(8-18)16-17-13/h3-9H,1-2H3
InChIKeyPGWUEZWGQNWUQT-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.88
Rot. Bonds4

About 6-(3-fluoro-4-propan-2-yloxyphenyl)pyridazine-3-carbaldehyde

6-(3-fluoro-4-propan-2-yloxyphenyl)pyridazine-3-carbaldehyde (PubChem CID 82301440) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 6-(3-fluoro-4-propan-2-yloxyphenyl)pyridazine-3-carbaldehyde.

Molecular Properties

Compound Name6-(3-fluoro-4-propan-2-yloxyphenyl)pyridazine-3-carbaldehyde
PubChem CID82301440
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name6-(3-fluoro-4-propan-2-yloxyphenyl)pyridazine-3-carbaldehyde
SMILESCC(C)Oc1ccc(-c2ccc(C=O)nn2)cc1F
InChIInChI=1S/C14H13FN2O2/c1-9(2)19-14-6-3-10(7-12(14)15)13-5-4-11(8-18)16-17-13/h3-9H,1-2H3
InChIKeyPGWUEZWGQNWUQT-UHFFFAOYSA-N
XLogP2.88
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.88
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 6-(3-fluoro-4-propan-2-yloxyphenyl)pyridazine-3-carbaldehyde?
The IUPAC name of 6-(3-fluoro-4-propan-2-yloxyphenyl)pyridazine-3-carbaldehyde (CID 82301440) is 6-(3-fluoro-4-propan-2-yloxyphenyl)pyridazine-3-carbaldehyde.
What is the SMILES notation for 6-(3-fluoro-4-propan-2-yloxyphenyl)pyridazine-3-carbaldehyde?
The canonical SMILES for 6-(3-fluoro-4-propan-2-yloxyphenyl)pyridazine-3-carbaldehyde is CC(C)Oc1ccc(-c2ccc(C=O)nn2)cc1F.
What is the InChIKey of 6-(3-fluoro-4-propan-2-yloxyphenyl)pyridazine-3-carbaldehyde?
The InChIKey is PGWUEZWGQNWUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-9(2)19-14-6-3-10(7-12(14)15)13-5-4-11(8-18)16-17-13/h3-9H,1-2H3.
What are the key properties of 6-(3-fluoro-4-propan-2-yloxyphenyl)pyridazine-3-carbaldehyde?
6-(3-fluoro-4-propan-2-yloxyphenyl)pyridazine-3-carbaldehyde has a molecular weight of 260.27 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-propan-2-yloxyphenyl)pyridazine-3-carbaldehyde is sourced from PubChem (CID 82301440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).