4-chloro-3-(2-methylpropyl)pyridazine

C8H11ClN2 — CID 91075699

IUPAC4-chloro-3-(2-methylpropyl)pyridazine
SMILESCC(C)Cc1nnccc1Cl
InChIInChI=1S/C8H11ClN2/c1-6(2)5-8-7(9)3-4-10-11-8/h3-4,6H,5H2,1-2H3
InChIKeyTVRXPUNOJWZHKG-UHFFFAOYSA-N
MW170.64 g/mol
LogP2.33
Rot. Bonds2

About 4-chloro-3-(2-methylpropyl)pyridazine

4-chloro-3-(2-methylpropyl)pyridazine (PubChem CID 91075699) has the molecular formula C8H11ClN2 and a molecular weight of 170.64 g/mol. Its IUPAC name is 4-chloro-3-(2-methylpropyl)pyridazine.

Molecular Properties

Compound Name4-chloro-3-(2-methylpropyl)pyridazine
PubChem CID91075699
Molecular FormulaC8H11ClN2
Molecular Weight170.64 g/mol
Exact Mass170.06
IUPAC Name4-chloro-3-(2-methylpropyl)pyridazine
SMILESCC(C)Cc1nnccc1Cl
InChIInChI=1S/C8H11ClN2/c1-6(2)5-8-7(9)3-4-10-11-8/h3-4,6H,5H2,1-2H3
InChIKeyTVRXPUNOJWZHKG-UHFFFAOYSA-N
XLogP2.33
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2-methylpropyl)pyridazine?
The IUPAC name of 4-chloro-3-(2-methylpropyl)pyridazine (CID 91075699) is 4-chloro-3-(2-methylpropyl)pyridazine.
What is the SMILES notation for 4-chloro-3-(2-methylpropyl)pyridazine?
The canonical SMILES for 4-chloro-3-(2-methylpropyl)pyridazine is CC(C)Cc1nnccc1Cl.
What is the InChIKey of 4-chloro-3-(2-methylpropyl)pyridazine?
The InChIKey is TVRXPUNOJWZHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2/c1-6(2)5-8-7(9)3-4-10-11-8/h3-4,6H,5H2,1-2H3.
What are the key properties of 4-chloro-3-(2-methylpropyl)pyridazine?
4-chloro-3-(2-methylpropyl)pyridazine has a molecular weight of 170.64 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2-methylpropyl)pyridazine is sourced from PubChem (CID 91075699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).