5-tert-butyl-4-chloro-3-fluoropyridazine

C8H10ClFN2 — CID 146376772

IUPAC5-tert-butyl-4-chloro-3-fluoropyridazine
SMILESCC(C)(C)c1cnnc(F)c1Cl
InChIInChI=1S/C8H10ClFN2/c1-8(2,3)5-4-11-12-7(10)6(5)9/h4H,1-3H3
InChIKeyFXARDEGHHJFDSZ-UHFFFAOYSA-N
MW188.63 g/mol
LogP2.57
Rot. Bonds

About 5-tert-butyl-4-chloro-3-fluoropyridazine

5-tert-butyl-4-chloro-3-fluoropyridazine (PubChem CID 146376772) has the molecular formula C8H10ClFN2 and a molecular weight of 188.63 g/mol. Its IUPAC name is 5-tert-butyl-4-chloro-3-fluoropyridazine.

Molecular Properties

Compound Name5-tert-butyl-4-chloro-3-fluoropyridazine
PubChem CID146376772
Molecular FormulaC8H10ClFN2
Molecular Weight188.63 g/mol
Exact Mass188.05
IUPAC Name5-tert-butyl-4-chloro-3-fluoropyridazine
SMILESCC(C)(C)c1cnnc(F)c1Cl
InChIInChI=1S/C8H10ClFN2/c1-8(2,3)5-4-11-12-7(10)6(5)9/h4H,1-3H3
InChIKeyFXARDEGHHJFDSZ-UHFFFAOYSA-N
XLogP2.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.63
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-chloro-3-fluoropyridazine?
The IUPAC name of 5-tert-butyl-4-chloro-3-fluoropyridazine (CID 146376772) is 5-tert-butyl-4-chloro-3-fluoropyridazine.
What is the SMILES notation for 5-tert-butyl-4-chloro-3-fluoropyridazine?
The canonical SMILES for 5-tert-butyl-4-chloro-3-fluoropyridazine is CC(C)(C)c1cnnc(F)c1Cl.
What is the InChIKey of 5-tert-butyl-4-chloro-3-fluoropyridazine?
The InChIKey is FXARDEGHHJFDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClFN2/c1-8(2,3)5-4-11-12-7(10)6(5)9/h4H,1-3H3.
What are the key properties of 5-tert-butyl-4-chloro-3-fluoropyridazine?
5-tert-butyl-4-chloro-3-fluoropyridazine has a molecular weight of 188.63 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-chloro-3-fluoropyridazine is sourced from PubChem (CID 146376772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).