3-chloro-5-methoxy-4,6-dimethylpyridazine

C7H9ClN2O — CID 88853959

IUPAC3-chloro-5-methoxy-4,6-dimethylpyridazine
SMILESCOc1c(C)nnc(Cl)c1C
InChIInChI=1S/C7H9ClN2O/c1-4-6(11-3)5(2)9-10-7(4)8/h1-3H3
InChIKeyTVHDRSHQWAHMNB-UHFFFAOYSA-N
MW172.61 g/mol
LogP1.76
Rot. Bonds1

About 3-chloro-5-methoxy-4,6-dimethylpyridazine

3-chloro-5-methoxy-4,6-dimethylpyridazine (PubChem CID 88853959) has the molecular formula C7H9ClN2O and a molecular weight of 172.61 g/mol. Its IUPAC name is 3-chloro-5-methoxy-4,6-dimethylpyridazine.

Molecular Properties

Compound Name3-chloro-5-methoxy-4,6-dimethylpyridazine
PubChem CID88853959
Molecular FormulaC7H9ClN2O
Molecular Weight172.61 g/mol
Exact Mass172.04
IUPAC Name3-chloro-5-methoxy-4,6-dimethylpyridazine
SMILESCOc1c(C)nnc(Cl)c1C
InChIInChI=1S/C7H9ClN2O/c1-4-6(11-3)5(2)9-10-7(4)8/h1-3H3
InChIKeyTVHDRSHQWAHMNB-UHFFFAOYSA-N
XLogP1.76
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.61
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-4,6-dimethylpyridazine?
The IUPAC name of 3-chloro-5-methoxy-4,6-dimethylpyridazine (CID 88853959) is 3-chloro-5-methoxy-4,6-dimethylpyridazine.
What is the SMILES notation for 3-chloro-5-methoxy-4,6-dimethylpyridazine?
The canonical SMILES for 3-chloro-5-methoxy-4,6-dimethylpyridazine is COc1c(C)nnc(Cl)c1C.
What is the InChIKey of 3-chloro-5-methoxy-4,6-dimethylpyridazine?
The InChIKey is TVHDRSHQWAHMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O/c1-4-6(11-3)5(2)9-10-7(4)8/h1-3H3.
What are the key properties of 3-chloro-5-methoxy-4,6-dimethylpyridazine?
3-chloro-5-methoxy-4,6-dimethylpyridazine has a molecular weight of 172.61 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methoxy-4,6-dimethylpyridazine is sourced from PubChem (CID 88853959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).