3-chloro-5-methylpyridazine;methane

C6H9ClN2 — CID 158951511

IUPAC3-chloro-5-methylpyridazine;methane
SMILESC.Cc1cnnc(Cl)c1
InChIInChI=1S/C5H5ClN2.CH4/c1-4-2-5(6)8-7-3-4;/h2-3H,1H3;1H4
InChIKeyJLMHJIYNYCIYBE-UHFFFAOYSA-N
MW144.60 g/mol
LogP2.07
Rot. Bonds

About 3-chloro-5-methylpyridazine;methane

3-chloro-5-methylpyridazine;methane (PubChem CID 158951511) has the molecular formula C6H9ClN2 and a molecular weight of 144.60 g/mol. Its IUPAC name is 3-chloro-5-methylpyridazine;methane.

Molecular Properties

Compound Name3-chloro-5-methylpyridazine;methane
PubChem CID158951511
Molecular FormulaC6H9ClN2
Molecular Weight144.60 g/mol
Exact Mass144.05
IUPAC Name3-chloro-5-methylpyridazine;methane
SMILESC.Cc1cnnc(Cl)c1
InChIInChI=1S/C5H5ClN2.CH4/c1-4-2-5(6)8-7-3-4;/h2-3H,1H3;1H4
InChIKeyJLMHJIYNYCIYBE-UHFFFAOYSA-N
XLogP2.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.60
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methylpyridazine;methane?
The IUPAC name of 3-chloro-5-methylpyridazine;methane (CID 158951511) is 3-chloro-5-methylpyridazine;methane.
What is the SMILES notation for 3-chloro-5-methylpyridazine;methane?
The canonical SMILES for 3-chloro-5-methylpyridazine;methane is C.Cc1cnnc(Cl)c1.
What is the InChIKey of 3-chloro-5-methylpyridazine;methane?
The InChIKey is JLMHJIYNYCIYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2.CH4/c1-4-2-5(6)8-7-3-4;/h2-3H,1H3;1H4.
What are the key properties of 3-chloro-5-methylpyridazine;methane?
3-chloro-5-methylpyridazine;methane has a molecular weight of 144.60 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methylpyridazine;methane is sourced from PubChem (CID 158951511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).