5-fluoro-1,4-dimethyl-3,6-dihydro-2H-pyridine

C7H12FN — CID 89224797

IUPAC5-fluoro-1,4-dimethyl-3,6-dihydro-2H-pyridine
SMILESCC1=C(F)CN(C)CC1
InChIInChI=1S/C7H12FN/c1-6-3-4-9(2)5-7(6)8/h3-5H2,1-2H3
InChIKeyRYAJCLCHKOPGTM-UHFFFAOYSA-N
MW129.18 g/mol
LogP1.57
Rot. Bonds

About 5-fluoro-1,4-dimethyl-3,6-dihydro-2H-pyridine

5-fluoro-1,4-dimethyl-3,6-dihydro-2H-pyridine (PubChem CID 89224797) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is 5-fluoro-1,4-dimethyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-fluoro-1,4-dimethyl-3,6-dihydro-2H-pyridine
PubChem CID89224797
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name5-fluoro-1,4-dimethyl-3,6-dihydro-2H-pyridine
SMILESCC1=C(F)CN(C)CC1
InChIInChI=1S/C7H12FN/c1-6-3-4-9(2)5-7(6)8/h3-5H2,1-2H3
InChIKeyRYAJCLCHKOPGTM-UHFFFAOYSA-N
XLogP1.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,4-dimethyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-fluoro-1,4-dimethyl-3,6-dihydro-2H-pyridine (CID 89224797) is 5-fluoro-1,4-dimethyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-fluoro-1,4-dimethyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-fluoro-1,4-dimethyl-3,6-dihydro-2H-pyridine is CC1=C(F)CN(C)CC1.
What is the InChIKey of 5-fluoro-1,4-dimethyl-3,6-dihydro-2H-pyridine?
The InChIKey is RYAJCLCHKOPGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN/c1-6-3-4-9(2)5-7(6)8/h3-5H2,1-2H3.
What are the key properties of 5-fluoro-1,4-dimethyl-3,6-dihydro-2H-pyridine?
5-fluoro-1,4-dimethyl-3,6-dihydro-2H-pyridine has a molecular weight of 129.18 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,4-dimethyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 89224797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).