5-cyclopentyl-6-methoxypyridazine-3-carbonyl chloride

C11H13ClN2O2 — CID 54223024

IUPAC5-cyclopentyl-6-methoxypyridazine-3-carbonyl chloride
SMILESCOc1nnc(C(=O)Cl)cc1C1CCCC1
InChIInChI=1S/C11H13ClN2O2/c1-16-11-8(7-4-2-3-5-7)6-9(10(12)15)13-14-11/h6-7H,2-5H2,1H3
InChIKeyQDXXRDBKTDVWSI-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.52
Rot. Bonds3

About 5-cyclopentyl-6-methoxypyridazine-3-carbonyl chloride

5-cyclopentyl-6-methoxypyridazine-3-carbonyl chloride (PubChem CID 54223024) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 5-cyclopentyl-6-methoxypyridazine-3-carbonyl chloride.

Molecular Properties

Compound Name5-cyclopentyl-6-methoxypyridazine-3-carbonyl chloride
PubChem CID54223024
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name5-cyclopentyl-6-methoxypyridazine-3-carbonyl chloride
SMILESCOc1nnc(C(=O)Cl)cc1C1CCCC1
InChIInChI=1S/C11H13ClN2O2/c1-16-11-8(7-4-2-3-5-7)6-9(10(12)15)13-14-11/h6-7H,2-5H2,1H3
InChIKeyQDXXRDBKTDVWSI-UHFFFAOYSA-N
XLogP2.52
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-6-methoxypyridazine-3-carbonyl chloride?
The IUPAC name of 5-cyclopentyl-6-methoxypyridazine-3-carbonyl chloride (CID 54223024) is 5-cyclopentyl-6-methoxypyridazine-3-carbonyl chloride.
What is the SMILES notation for 5-cyclopentyl-6-methoxypyridazine-3-carbonyl chloride?
The canonical SMILES for 5-cyclopentyl-6-methoxypyridazine-3-carbonyl chloride is COc1nnc(C(=O)Cl)cc1C1CCCC1.
What is the InChIKey of 5-cyclopentyl-6-methoxypyridazine-3-carbonyl chloride?
The InChIKey is QDXXRDBKTDVWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-16-11-8(7-4-2-3-5-7)6-9(10(12)15)13-14-11/h6-7H,2-5H2,1H3.
What are the key properties of 5-cyclopentyl-6-methoxypyridazine-3-carbonyl chloride?
5-cyclopentyl-6-methoxypyridazine-3-carbonyl chloride has a molecular weight of 240.69 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-6-methoxypyridazine-3-carbonyl chloride is sourced from PubChem (CID 54223024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).