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

C6H8FN — CID 123967163

IUPAC5-fluoro-3-methyl-3,4-dihydropyridine
SMILESCC1C=NC=C(F)C1
InChIInChI=1S/C6H8FN/c1-5-2-6(7)4-8-3-5/h3-5H,2H2,1H3
InChIKeyZGISJCYQRZURRH-UHFFFAOYSA-N
MW113.13 g/mol
LogP1.91
Rot. Bonds

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

5-fluoro-3-methyl-3,4-dihydropyridine (PubChem CID 123967163) has the molecular formula C6H8FN and a molecular weight of 113.13 g/mol. Its IUPAC name is 5-fluoro-3-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name5-fluoro-3-methyl-3,4-dihydropyridine
PubChem CID123967163
Molecular FormulaC6H8FN
Molecular Weight113.13 g/mol
Exact Mass113.06
IUPAC Name5-fluoro-3-methyl-3,4-dihydropyridine
SMILESCC1C=NC=C(F)C1
InChIInChI=1S/C6H8FN/c1-5-2-6(7)4-8-3-5/h3-5H,2H2,1H3
InChIKeyZGISJCYQRZURRH-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Fluoro-3-methyl-3,4-dihydropyridine
CID 68239949
(3S)-5-fluoro-3-methyl-3,4-dihydropyridine
CID 89024044
3-Fluoro-5-methyl-3,4-dihydropyridine
CID 89642561
4-Fluoro-5-methyl-3,4-dihydropyridine
CID 90764020
(3-Fluoro-4-methyl-3,4-dihydropyridin-5-yl)boronic acid
CID 123622206
3-Ethyl-6-fluoro-3,4-dihydropyridine
CID 123750960
3-Fluoro-4-methyl-3,4-dihydropyridine
CID 134377478
6-Fluoro-3,5-dimethyl-3,4-dihydropyridine
CID 134581916
5-Fluoro-3,4-dimethyl-3,4-dihydropyridine
CID 146580434
5-Fluoro-3,4-dihydropyridine
CID 147039461
6-Fluoro-3-methyl-3,4-dihydropyridine
CID 153648267
(3R)-5-fluoro-2,3-dimethyl-3,4-dihydropyridine
CID 155135101

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-3,4-dihydropyridine?
The IUPAC name of 5-fluoro-3-methyl-3,4-dihydropyridine (CID 123967163) is 5-fluoro-3-methyl-3,4-dihydropyridine.
What is the SMILES notation for 5-fluoro-3-methyl-3,4-dihydropyridine?
The canonical SMILES for 5-fluoro-3-methyl-3,4-dihydropyridine is CC1C=NC=C(F)C1.
What is the InChIKey of 5-fluoro-3-methyl-3,4-dihydropyridine?
The InChIKey is ZGISJCYQRZURRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN/c1-5-2-6(7)4-8-3-5/h3-5H,2H2,1H3.
What are the key properties of 5-fluoro-3-methyl-3,4-dihydropyridine?
5-fluoro-3-methyl-3,4-dihydropyridine has a molecular weight of 113.13 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-3,4-dihydropyridine is sourced from PubChem (CID 123967163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).