4-fluoro-3,6-dimethylpyridazine

C6H7FN2 — CID 58503542

IUPAC4-fluoro-3,6-dimethylpyridazine
SMILESCc1cc(F)c(C)nn1
InChIInChI=1S/C6H7FN2/c1-4-3-6(7)5(2)9-8-4/h3H,1-2H3
InChIKeyKZRXNSSNIUZWSZ-UHFFFAOYSA-N
MW126.13 g/mol
LogP1.23
Rot. Bonds

About 4-fluoro-3,6-dimethylpyridazine

4-fluoro-3,6-dimethylpyridazine (PubChem CID 58503542) has the molecular formula C6H7FN2 and a molecular weight of 126.13 g/mol. Its IUPAC name is 4-fluoro-3,6-dimethylpyridazine.

Molecular Properties

Compound Name4-fluoro-3,6-dimethylpyridazine
PubChem CID58503542
Molecular FormulaC6H7FN2
Molecular Weight126.13 g/mol
Exact Mass126.06
IUPAC Name4-fluoro-3,6-dimethylpyridazine
SMILESCc1cc(F)c(C)nn1
InChIInChI=1S/C6H7FN2/c1-4-3-6(7)5(2)9-8-4/h3H,1-2H3
InChIKeyKZRXNSSNIUZWSZ-UHFFFAOYSA-N
XLogP1.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.13
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3,6-dimethylpyridazine?
The IUPAC name of 4-fluoro-3,6-dimethylpyridazine (CID 58503542) is 4-fluoro-3,6-dimethylpyridazine.
What is the SMILES notation for 4-fluoro-3,6-dimethylpyridazine?
The canonical SMILES for 4-fluoro-3,6-dimethylpyridazine is Cc1cc(F)c(C)nn1.
What is the InChIKey of 4-fluoro-3,6-dimethylpyridazine?
The InChIKey is KZRXNSSNIUZWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2/c1-4-3-6(7)5(2)9-8-4/h3H,1-2H3.
What are the key properties of 4-fluoro-3,6-dimethylpyridazine?
4-fluoro-3,6-dimethylpyridazine has a molecular weight of 126.13 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3,6-dimethylpyridazine is sourced from PubChem (CID 58503542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).