3,6-dichloro-4-(1-chloro-2-methylpropan-2-yl)-5-methylpyridazine

C9H11Cl3N2 — CID 14349843

IUPAC3,6-dichloro-4-(1-chloro-2-methylpropan-2-yl)-5-methylpyridazine
SMILESCc1c(Cl)nnc(Cl)c1C(C)(C)CCl
InChIInChI=1S/C9H11Cl3N2/c1-5-6(9(2,3)4-10)8(12)14-13-7(5)11/h4H2,1-3H3
InChIKeyFIDPCPYIDLCXHA-UHFFFAOYSA-N
MW253.56 g/mol
LogP3.61
Rot. Bonds2

About 3,6-dichloro-4-(1-chloro-2-methylpropan-2-yl)-5-methylpyridazine

3,6-dichloro-4-(1-chloro-2-methylpropan-2-yl)-5-methylpyridazine (PubChem CID 14349843) has the molecular formula C9H11Cl3N2 and a molecular weight of 253.56 g/mol. Its IUPAC name is 3,6-dichloro-4-(1-chloro-2-methylpropan-2-yl)-5-methylpyridazine.

Molecular Properties

Compound Name3,6-dichloro-4-(1-chloro-2-methylpropan-2-yl)-5-methylpyridazine
PubChem CID14349843
Molecular FormulaC9H11Cl3N2
Molecular Weight253.56 g/mol
Exact Mass252.00
IUPAC Name3,6-dichloro-4-(1-chloro-2-methylpropan-2-yl)-5-methylpyridazine
SMILESCc1c(Cl)nnc(Cl)c1C(C)(C)CCl
InChIInChI=1S/C9H11Cl3N2/c1-5-6(9(2,3)4-10)8(12)14-13-7(5)11/h4H2,1-3H3
InChIKeyFIDPCPYIDLCXHA-UHFFFAOYSA-N
XLogP3.61
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.56
LogP ≤ 53.61
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 3,6-dichloro-4-(1-chloro-2-methylpropan-2-yl)-5-methylpyridazine?
The IUPAC name of 3,6-dichloro-4-(1-chloro-2-methylpropan-2-yl)-5-methylpyridazine (CID 14349843) is 3,6-dichloro-4-(1-chloro-2-methylpropan-2-yl)-5-methylpyridazine.
What is the SMILES notation for 3,6-dichloro-4-(1-chloro-2-methylpropan-2-yl)-5-methylpyridazine?
The canonical SMILES for 3,6-dichloro-4-(1-chloro-2-methylpropan-2-yl)-5-methylpyridazine is Cc1c(Cl)nnc(Cl)c1C(C)(C)CCl.
What is the InChIKey of 3,6-dichloro-4-(1-chloro-2-methylpropan-2-yl)-5-methylpyridazine?
The InChIKey is FIDPCPYIDLCXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl3N2/c1-5-6(9(2,3)4-10)8(12)14-13-7(5)11/h4H2,1-3H3.
What are the key properties of 3,6-dichloro-4-(1-chloro-2-methylpropan-2-yl)-5-methylpyridazine?
3,6-dichloro-4-(1-chloro-2-methylpropan-2-yl)-5-methylpyridazine has a molecular weight of 253.56 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-4-(1-chloro-2-methylpropan-2-yl)-5-methylpyridazine is sourced from PubChem (CID 14349843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).