3-chloro-4,5-dimethylpyridazine

C6H7ClN2 — CID 59762767

IUPAC3-chloro-4,5-dimethylpyridazine
SMILESCc1cnnc(Cl)c1C
InChIInChI=1S/C6H7ClN2/c1-4-3-8-9-6(7)5(4)2/h3H,1-2H3
InChIKeyPSVFHXCZBROHDG-UHFFFAOYSA-N
MW142.59 g/mol
LogP1.75
Rot. Bonds

About 3-chloro-4,5-dimethylpyridazine

3-chloro-4,5-dimethylpyridazine (PubChem CID 59762767) has the molecular formula C6H7ClN2 and a molecular weight of 142.59 g/mol. Its IUPAC name is 3-chloro-4,5-dimethylpyridazine.

Molecular Properties

Compound Name3-chloro-4,5-dimethylpyridazine
PubChem CID59762767
Molecular FormulaC6H7ClN2
Molecular Weight142.59 g/mol
Exact Mass142.03
IUPAC Name3-chloro-4,5-dimethylpyridazine
SMILESCc1cnnc(Cl)c1C
InChIInChI=1S/C6H7ClN2/c1-4-3-8-9-6(7)5(4)2/h3H,1-2H3
InChIKeyPSVFHXCZBROHDG-UHFFFAOYSA-N
XLogP1.75
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.59
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5-dimethylpyridazine?
The IUPAC name of 3-chloro-4,5-dimethylpyridazine (CID 59762767) is 3-chloro-4,5-dimethylpyridazine.
What is the SMILES notation for 3-chloro-4,5-dimethylpyridazine?
The canonical SMILES for 3-chloro-4,5-dimethylpyridazine is Cc1cnnc(Cl)c1C.
What is the InChIKey of 3-chloro-4,5-dimethylpyridazine?
The InChIKey is PSVFHXCZBROHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2/c1-4-3-8-9-6(7)5(4)2/h3H,1-2H3.
What are the key properties of 3-chloro-4,5-dimethylpyridazine?
3-chloro-4,5-dimethylpyridazine has a molecular weight of 142.59 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,5-dimethylpyridazine is sourced from PubChem (CID 59762767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).