2-(4,6-dichloropyridazin-3-yl)ethyl formate

C7H6Cl2N2O2 — CID 174740632

IUPAC2-(4,6-dichloropyridazin-3-yl)ethyl formate
SMILESO=COCCc1nnc(Cl)cc1Cl
InChIInChI=1S/C7H6Cl2N2O2/c8-5-3-7(9)11-10-6(5)1-2-13-4-12/h3-4H,1-2H2
InChIKeyKQCGPDGZRIUBMA-UHFFFAOYSA-N
MW221.04 g/mol
LogP1.50
Rot. Bonds4

About 2-(4,6-dichloropyridazin-3-yl)ethyl formate

2-(4,6-dichloropyridazin-3-yl)ethyl formate (PubChem CID 174740632) has the molecular formula C7H6Cl2N2O2 and a molecular weight of 221.04 g/mol. Its IUPAC name is 2-(4,6-dichloropyridazin-3-yl)ethyl formate.

Molecular Properties

Compound Name2-(4,6-dichloropyridazin-3-yl)ethyl formate
PubChem CID174740632
Molecular FormulaC7H6Cl2N2O2
Molecular Weight221.04 g/mol
Exact Mass219.98
IUPAC Name2-(4,6-dichloropyridazin-3-yl)ethyl formate
SMILESO=COCCc1nnc(Cl)cc1Cl
InChIInChI=1S/C7H6Cl2N2O2/c8-5-3-7(9)11-10-6(5)1-2-13-4-12/h3-4H,1-2H2
InChIKeyKQCGPDGZRIUBMA-UHFFFAOYSA-N
XLogP1.50
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.04
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dichloropyridazin-3-yl)ethyl formate?
The IUPAC name of 2-(4,6-dichloropyridazin-3-yl)ethyl formate (CID 174740632) is 2-(4,6-dichloropyridazin-3-yl)ethyl formate.
What is the SMILES notation for 2-(4,6-dichloropyridazin-3-yl)ethyl formate?
The canonical SMILES for 2-(4,6-dichloropyridazin-3-yl)ethyl formate is O=COCCc1nnc(Cl)cc1Cl.
What is the InChIKey of 2-(4,6-dichloropyridazin-3-yl)ethyl formate?
The InChIKey is KQCGPDGZRIUBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2O2/c8-5-3-7(9)11-10-6(5)1-2-13-4-12/h3-4H,1-2H2.
What are the key properties of 2-(4,6-dichloropyridazin-3-yl)ethyl formate?
2-(4,6-dichloropyridazin-3-yl)ethyl formate has a molecular weight of 221.04 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dichloropyridazin-3-yl)ethyl formate is sourced from PubChem (CID 174740632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).