5-fluoro-4,6-dimethyl-2,3-dihydropyridine

C7H10FN — CID 167170079

IUPAC5-fluoro-4,6-dimethyl-2,3-dihydropyridine
SMILESCC1=NCCC(C)=C1F
InChIInChI=1S/C7H10FN/c1-5-3-4-9-6(2)7(5)8/h3-4H2,1-2H3
InChIKeyYWICKWUWCVYJSG-UHFFFAOYSA-N
MW127.16 g/mol
LogP2.09
Rot. Bonds

About 5-fluoro-4,6-dimethyl-2,3-dihydropyridine

5-fluoro-4,6-dimethyl-2,3-dihydropyridine (PubChem CID 167170079) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is 5-fluoro-4,6-dimethyl-2,3-dihydropyridine.

Molecular Properties

Compound Name5-fluoro-4,6-dimethyl-2,3-dihydropyridine
PubChem CID167170079
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name5-fluoro-4,6-dimethyl-2,3-dihydropyridine
SMILESCC1=NCCC(C)=C1F
InChIInChI=1S/C7H10FN/c1-5-3-4-9-6(2)7(5)8/h3-4H2,1-2H3
InChIKeyYWICKWUWCVYJSG-UHFFFAOYSA-N
XLogP2.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4,6-dimethyl-2,3-dihydropyridine?
The IUPAC name of 5-fluoro-4,6-dimethyl-2,3-dihydropyridine (CID 167170079) is 5-fluoro-4,6-dimethyl-2,3-dihydropyridine.
What is the SMILES notation for 5-fluoro-4,6-dimethyl-2,3-dihydropyridine?
The canonical SMILES for 5-fluoro-4,6-dimethyl-2,3-dihydropyridine is CC1=NCCC(C)=C1F.
What is the InChIKey of 5-fluoro-4,6-dimethyl-2,3-dihydropyridine?
The InChIKey is YWICKWUWCVYJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN/c1-5-3-4-9-6(2)7(5)8/h3-4H2,1-2H3.
What are the key properties of 5-fluoro-4,6-dimethyl-2,3-dihydropyridine?
5-fluoro-4,6-dimethyl-2,3-dihydropyridine has a molecular weight of 127.16 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4,6-dimethyl-2,3-dihydropyridine is sourced from PubChem (CID 167170079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).