6-chloro-3-(chloromethyl)-4-methylpyridazine

C6H6Cl2N2 — CID 51341970

IUPAC6-chloro-3-(chloromethyl)-4-methylpyridazine
SMILESCc1cc(Cl)nnc1CCl
InChIInChI=1S/C6H6Cl2N2/c1-4-2-6(8)10-9-5(4)3-7/h2H,3H2,1H3
InChIKeySOQGHMNBZNYCBM-UHFFFAOYSA-N
MW177.03 g/mol
LogP2.18
Rot. Bonds1

About 6-chloro-3-(chloromethyl)-4-methylpyridazine

6-chloro-3-(chloromethyl)-4-methylpyridazine (PubChem CID 51341970) has the molecular formula C6H6Cl2N2 and a molecular weight of 177.03 g/mol. Its IUPAC name is 6-chloro-3-(chloromethyl)-4-methylpyridazine.

Molecular Properties

Compound Name6-chloro-3-(chloromethyl)-4-methylpyridazine
PubChem CID51341970
Molecular FormulaC6H6Cl2N2
Molecular Weight177.03 g/mol
Exact Mass175.99
IUPAC Name6-chloro-3-(chloromethyl)-4-methylpyridazine
SMILESCc1cc(Cl)nnc1CCl
InChIInChI=1S/C6H6Cl2N2/c1-4-2-6(8)10-9-5(4)3-7/h2H,3H2,1H3
InChIKeySOQGHMNBZNYCBM-UHFFFAOYSA-N
XLogP2.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.03
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(chloromethyl)-4-methylpyridazine?
The IUPAC name of 6-chloro-3-(chloromethyl)-4-methylpyridazine (CID 51341970) is 6-chloro-3-(chloromethyl)-4-methylpyridazine.
What is the SMILES notation for 6-chloro-3-(chloromethyl)-4-methylpyridazine?
The canonical SMILES for 6-chloro-3-(chloromethyl)-4-methylpyridazine is Cc1cc(Cl)nnc1CCl.
What is the InChIKey of 6-chloro-3-(chloromethyl)-4-methylpyridazine?
The InChIKey is SOQGHMNBZNYCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2/c1-4-2-6(8)10-9-5(4)3-7/h2H,3H2,1H3.
What are the key properties of 6-chloro-3-(chloromethyl)-4-methylpyridazine?
6-chloro-3-(chloromethyl)-4-methylpyridazine has a molecular weight of 177.03 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(chloromethyl)-4-methylpyridazine is sourced from PubChem (CID 51341970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).