3-butan-2-yl-4-chloropyridazine

C8H11ClN2 — CID 90749430

IUPAC3-butan-2-yl-4-chloropyridazine
SMILESCCC(C)c1nnccc1Cl
InChIInChI=1S/C8H11ClN2/c1-3-6(2)8-7(9)4-5-10-11-8/h4-6H,3H2,1-2H3
InChIKeyUTSGQSQBMUJFIW-UHFFFAOYSA-N
MW170.64 g/mol
LogP2.64
Rot. Bonds2

About 3-butan-2-yl-4-chloropyridazine

3-butan-2-yl-4-chloropyridazine (PubChem CID 90749430) has the molecular formula C8H11ClN2 and a molecular weight of 170.64 g/mol. Its IUPAC name is 3-butan-2-yl-4-chloropyridazine.

Molecular Properties

Compound Name3-butan-2-yl-4-chloropyridazine
PubChem CID90749430
Molecular FormulaC8H11ClN2
Molecular Weight170.64 g/mol
Exact Mass170.06
IUPAC Name3-butan-2-yl-4-chloropyridazine
SMILESCCC(C)c1nnccc1Cl
InChIInChI=1S/C8H11ClN2/c1-3-6(2)8-7(9)4-5-10-11-8/h4-6H,3H2,1-2H3
InChIKeyUTSGQSQBMUJFIW-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-4-chloropyridazine?
The IUPAC name of 3-butan-2-yl-4-chloropyridazine (CID 90749430) is 3-butan-2-yl-4-chloropyridazine.
What is the SMILES notation for 3-butan-2-yl-4-chloropyridazine?
The canonical SMILES for 3-butan-2-yl-4-chloropyridazine is CCC(C)c1nnccc1Cl.
What is the InChIKey of 3-butan-2-yl-4-chloropyridazine?
The InChIKey is UTSGQSQBMUJFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2/c1-3-6(2)8-7(9)4-5-10-11-8/h4-6H,3H2,1-2H3.
What are the key properties of 3-butan-2-yl-4-chloropyridazine?
3-butan-2-yl-4-chloropyridazine has a molecular weight of 170.64 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-4-chloropyridazine is sourced from PubChem (CID 90749430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).