6-chloro-4-methoxy-3-methylpyridazine

C6H7ClN2O — CID 53438803

IUPAC6-chloro-4-methoxy-3-methylpyridazine
SMILESCOc1cc(Cl)nnc1C
InChIInChI=1S/C6H7ClN2O/c1-4-5(10-2)3-6(7)9-8-4/h3H,1-2H3
InChIKeyXNALUGIAHDILBT-UHFFFAOYSA-N
MW158.59 g/mol
LogP1.45
Rot. Bonds1

About 6-chloro-4-methoxy-3-methylpyridazine

6-chloro-4-methoxy-3-methylpyridazine (PubChem CID 53438803) has the molecular formula C6H7ClN2O and a molecular weight of 158.59 g/mol. Its IUPAC name is 6-chloro-4-methoxy-3-methylpyridazine.

Molecular Properties

Compound Name6-chloro-4-methoxy-3-methylpyridazine
PubChem CID53438803
Molecular FormulaC6H7ClN2O
Molecular Weight158.59 g/mol
Exact Mass158.02
IUPAC Name6-chloro-4-methoxy-3-methylpyridazine
SMILESCOc1cc(Cl)nnc1C
InChIInChI=1S/C6H7ClN2O/c1-4-5(10-2)3-6(7)9-8-4/h3H,1-2H3
InChIKeyXNALUGIAHDILBT-UHFFFAOYSA-N
XLogP1.45
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.59
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-methoxy-3-methylpyridazine?
The IUPAC name of 6-chloro-4-methoxy-3-methylpyridazine (CID 53438803) is 6-chloro-4-methoxy-3-methylpyridazine.
What is the SMILES notation for 6-chloro-4-methoxy-3-methylpyridazine?
The canonical SMILES for 6-chloro-4-methoxy-3-methylpyridazine is COc1cc(Cl)nnc1C.
What is the InChIKey of 6-chloro-4-methoxy-3-methylpyridazine?
The InChIKey is XNALUGIAHDILBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O/c1-4-5(10-2)3-6(7)9-8-4/h3H,1-2H3.
What are the key properties of 6-chloro-4-methoxy-3-methylpyridazine?
6-chloro-4-methoxy-3-methylpyridazine has a molecular weight of 158.59 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methoxy-3-methylpyridazine is sourced from PubChem (CID 53438803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).