2-fluoro-5-methyl-3,4-dihydropyridine

C6H8FN — CID 143657713

IUPAC2-fluoro-5-methyl-3,4-dihydropyridine
SMILESCC1=CN=C(F)CC1
InChIInChI=1S/C6H8FN/c1-5-2-3-6(7)8-4-5/h4H,2-3H2,1H3
InChIKeyZLQHXEXYWJYDBQ-UHFFFAOYSA-N
MW113.13 g/mol
LogP2.05
Rot. Bonds

About 2-fluoro-5-methyl-3,4-dihydropyridine

2-fluoro-5-methyl-3,4-dihydropyridine (PubChem CID 143657713) has the molecular formula C6H8FN and a molecular weight of 113.13 g/mol. Its IUPAC name is 2-fluoro-5-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name2-fluoro-5-methyl-3,4-dihydropyridine
PubChem CID143657713
Molecular FormulaC6H8FN
Molecular Weight113.13 g/mol
Exact Mass113.06
IUPAC Name2-fluoro-5-methyl-3,4-dihydropyridine
SMILESCC1=CN=C(F)CC1
InChIInChI=1S/C6H8FN/c1-5-2-3-6(7)8-4-5/h4H,2-3H2,1H3
InChIKeyZLQHXEXYWJYDBQ-UHFFFAOYSA-N
XLogP2.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.13
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-3,4-dihydropyridine?
The IUPAC name of 2-fluoro-5-methyl-3,4-dihydropyridine (CID 143657713) is 2-fluoro-5-methyl-3,4-dihydropyridine.
What is the SMILES notation for 2-fluoro-5-methyl-3,4-dihydropyridine?
The canonical SMILES for 2-fluoro-5-methyl-3,4-dihydropyridine is CC1=CN=C(F)CC1.
What is the InChIKey of 2-fluoro-5-methyl-3,4-dihydropyridine?
The InChIKey is ZLQHXEXYWJYDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN/c1-5-2-3-6(7)8-4-5/h4H,2-3H2,1H3.
What are the key properties of 2-fluoro-5-methyl-3,4-dihydropyridine?
2-fluoro-5-methyl-3,4-dihydropyridine has a molecular weight of 113.13 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-3,4-dihydropyridine is sourced from PubChem (CID 143657713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).