3-chloro-5-methoxypyridazine

C5H5ClN2O — CID 10975612

IUPAC3-chloro-5-methoxypyridazine
SMILESCOc1cnnc(Cl)c1
InChIInChI=1S/C5H5ClN2O/c1-9-4-2-5(6)8-7-3-4/h2-3H,1H3
InChIKeyXLGRINRFBNCHQS-UHFFFAOYSA-N
MW144.56 g/mol
LogP1.14
Rot. Bonds1

About 3-chloro-5-methoxypyridazine

3-chloro-5-methoxypyridazine (PubChem CID 10975612) has the molecular formula C5H5ClN2O and a molecular weight of 144.56 g/mol. Its IUPAC name is 3-chloro-5-methoxypyridazine.

Molecular Properties

Compound Name3-chloro-5-methoxypyridazine
PubChem CID10975612
Molecular FormulaC5H5ClN2O
Molecular Weight144.56 g/mol
Exact Mass144.01
IUPAC Name3-chloro-5-methoxypyridazine
SMILESCOc1cnnc(Cl)c1
InChIInChI=1S/C5H5ClN2O/c1-9-4-2-5(6)8-7-3-4/h2-3H,1H3
InChIKeyXLGRINRFBNCHQS-UHFFFAOYSA-N
XLogP1.14
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.56
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxypyridazine?
The IUPAC name of 3-chloro-5-methoxypyridazine (CID 10975612) is 3-chloro-5-methoxypyridazine.
What is the SMILES notation for 3-chloro-5-methoxypyridazine?
The canonical SMILES for 3-chloro-5-methoxypyridazine is COc1cnnc(Cl)c1.
What is the InChIKey of 3-chloro-5-methoxypyridazine?
The InChIKey is XLGRINRFBNCHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2O/c1-9-4-2-5(6)8-7-3-4/h2-3H,1H3.
What are the key properties of 3-chloro-5-methoxypyridazine?
3-chloro-5-methoxypyridazine has a molecular weight of 144.56 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methoxypyridazine is sourced from PubChem (CID 10975612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).