5-tert-butyl-4-fluoro-3-methylpyridazine

C9H13FN2 — CID 146377669

IUPAC5-tert-butyl-4-fluoro-3-methylpyridazine
SMILESCc1nncc(C(C)(C)C)c1F
InChIInChI=1S/C9H13FN2/c1-6-8(10)7(5-11-12-6)9(2,3)4/h5H,1-4H3
InChIKeyOVEHUKLIZPSUGR-UHFFFAOYSA-N
MW168.21 g/mol
LogP2.22
Rot. Bonds

About 5-tert-butyl-4-fluoro-3-methylpyridazine

5-tert-butyl-4-fluoro-3-methylpyridazine (PubChem CID 146377669) has the molecular formula C9H13FN2 and a molecular weight of 168.21 g/mol. Its IUPAC name is 5-tert-butyl-4-fluoro-3-methylpyridazine.

Molecular Properties

Compound Name5-tert-butyl-4-fluoro-3-methylpyridazine
PubChem CID146377669
Molecular FormulaC9H13FN2
Molecular Weight168.21 g/mol
Exact Mass168.11
IUPAC Name5-tert-butyl-4-fluoro-3-methylpyridazine
SMILESCc1nncc(C(C)(C)C)c1F
InChIInChI=1S/C9H13FN2/c1-6-8(10)7(5-11-12-6)9(2,3)4/h5H,1-4H3
InChIKeyOVEHUKLIZPSUGR-UHFFFAOYSA-N
XLogP2.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-Dimethylpyridazine
CID 13262523
Pyridazine, 4-ethyl-6-methyl-
CID 15054356
(5,6-Dimethylpyridazin-4-yl)methanamine dihydrochloride
CID 119031323
5-(Bromomethyl)-3,4-dimethylpyridazine hydrobromide
CID 167738479
4,5-Di-t-butylpyridazine
CID 14787710
3-(tert-Butyl)pyridazine
CID 15855507
4-Methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine
CID 139297356
(5,6-Dimethylpyridazin-4-yl)methanamine
CID 119031324
3-Tert-butyl-4-fluoropyridazine
CID 58033181
3-Tert-butyl-5-(1,1-difluoroethyl)pyridazine
CID 58305841
4-Fluoro-3-propan-2-ylpyridazine
CID 58935684
3-Tert-butyl-5-(trifluoromethyl)pyridazine
CID 58945742

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-fluoro-3-methylpyridazine?
The IUPAC name of 5-tert-butyl-4-fluoro-3-methylpyridazine (CID 146377669) is 5-tert-butyl-4-fluoro-3-methylpyridazine.
What is the SMILES notation for 5-tert-butyl-4-fluoro-3-methylpyridazine?
The canonical SMILES for 5-tert-butyl-4-fluoro-3-methylpyridazine is Cc1nncc(C(C)(C)C)c1F.
What is the InChIKey of 5-tert-butyl-4-fluoro-3-methylpyridazine?
The InChIKey is OVEHUKLIZPSUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2/c1-6-8(10)7(5-11-12-6)9(2,3)4/h5H,1-4H3.
What are the key properties of 5-tert-butyl-4-fluoro-3-methylpyridazine?
5-tert-butyl-4-fluoro-3-methylpyridazine has a molecular weight of 168.21 g/mol, XLogP of 2.22, 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-fluoro-3-methylpyridazine is sourced from PubChem (CID 146377669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).