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

C6H8FN — CID 143420571

IUPAC6-fluoro-5-methyl-3,4-dihydropyridine
SMILESCC1=C(F)N=CCC1
InChIInChI=1S/C6H8FN/c1-5-3-2-4-8-6(5)7/h4H,2-3H2,1H3
InChIKeyPFECMXGPAAJASV-UHFFFAOYSA-N
MW113.13 g/mol
LogP2.05
Rot. Bonds

About 6-fluoro-5-methyl-3,4-dihydropyridine

6-fluoro-5-methyl-3,4-dihydropyridine (PubChem CID 143420571) has the molecular formula C6H8FN and a molecular weight of 113.13 g/mol. Its IUPAC name is 6-fluoro-5-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name6-fluoro-5-methyl-3,4-dihydropyridine
PubChem CID143420571
Molecular FormulaC6H8FN
Molecular Weight113.13 g/mol
Exact Mass113.06
IUPAC Name6-fluoro-5-methyl-3,4-dihydropyridine
SMILESCC1=C(F)N=CCC1
InChIInChI=1S/C6H8FN/c1-5-3-2-4-8-6(5)7/h4H,2-3H2,1H3
InChIKeyPFECMXGPAAJASV-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

3-Fluoro-5-methyl-3,4-dihydropyridine
CID 89642561
4-Fluoro-5-methyl-3,4-dihydropyridine
CID 90764020
6-Fluoro-3,5-dimethyl-3,4-dihydropyridine
CID 134581916
2-Fluoro-5-methyl-3,4-dihydropyridine
CID 143657713
(Z)-N-[(E)-1-fluoro-2-methylbut-1-enyl]ethanimine
CID 143782166
5-Methyl-3,4-dihydropyridine
CID 14979264
6-Chloro-5-methyl-3,4-dihydropyridine
CID 89340719
Ethane;6-fluoro-5-methyl-3,4-dihydropyridine
CID 143782199
3,4-Dideuterio-5-methyl-3,4-dihydropyridine
CID 154587589
3,4-Dideuterio-5-(trideuteriomethyl)-3,4-dihydropyridine
CID 154587646
5-(Trideuteriomethyl)-3,4-dihydropyridine
CID 154588059
3,4,6-Trideuterio-5-(trideuteriomethyl)-3,4-dihydropyridine
CID 157208424

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-methyl-3,4-dihydropyridine?
The IUPAC name of 6-fluoro-5-methyl-3,4-dihydropyridine (CID 143420571) is 6-fluoro-5-methyl-3,4-dihydropyridine.
What is the SMILES notation for 6-fluoro-5-methyl-3,4-dihydropyridine?
The canonical SMILES for 6-fluoro-5-methyl-3,4-dihydropyridine is CC1=C(F)N=CCC1.
What is the InChIKey of 6-fluoro-5-methyl-3,4-dihydropyridine?
The InChIKey is PFECMXGPAAJASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN/c1-5-3-2-4-8-6(5)7/h4H,2-3H2,1H3.
What are the key properties of 6-fluoro-5-methyl-3,4-dihydropyridine?
6-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 6-fluoro-5-methyl-3,4-dihydropyridine is sourced from PubChem (CID 143420571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).