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

C6H8FN — CID 90764020

IUPAC4-fluoro-5-methyl-3,4-dihydropyridine
SMILESCC1=CN=CCC1F
InChIInChI=1S/C6H8FN/c1-5-4-8-3-2-6(5)7/h3-4,6H,2H2,1H3
InChIKeyKWNCHTSVOZILGS-UHFFFAOYSA-N
MW113.13 g/mol
LogP1.70
Rot. Bonds

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

4-fluoro-5-methyl-3,4-dihydropyridine (PubChem CID 90764020) has the molecular formula C6H8FN and a molecular weight of 113.13 g/mol. Its IUPAC name is 4-fluoro-5-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name4-fluoro-5-methyl-3,4-dihydropyridine
PubChem CID90764020
Molecular FormulaC6H8FN
Molecular Weight113.13 g/mol
Exact Mass113.06
IUPAC Name4-fluoro-5-methyl-3,4-dihydropyridine
SMILESCC1=CN=CCC1F
InChIInChI=1S/C6H8FN/c1-5-4-8-3-2-6(5)7/h3-4,6H,2H2,1H3
InChIKeyKWNCHTSVOZILGS-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-Ethyl-3,4-dihydropyridine
CID 14979265
5-(Trifluoromethyl)-3,4-dihydropyridine
CID 57162541
(3S)-5-fluoro-3-methyl-3,4-dihydropyridine
CID 89024044
3-Fluoro-5-methyl-3,4-dihydropyridine
CID 89642561
5-Fluoro-3-methyl-3,4-dihydropyridine
CID 123967163
6-Fluoro-3,5-dimethyl-3,4-dihydropyridine
CID 134581916
N-[(E)-2-fluorohex-1-enyl]propan-1-imine
CID 137400300
6-Fluoro-5-methyl-3,4-dihydropyridine
CID 143420571
2-Fluoro-5-methyl-3,4-dihydropyridine
CID 143657713
N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]ethanimine
CID 144826258
5-Fluoro-3,4-dimethyl-3,4-dihydropyridine
CID 146580434
5-Fluoro-3,4-dihydropyridine
CID 147039461

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methyl-3,4-dihydropyridine?
The IUPAC name of 4-fluoro-5-methyl-3,4-dihydropyridine (CID 90764020) is 4-fluoro-5-methyl-3,4-dihydropyridine.
What is the SMILES notation for 4-fluoro-5-methyl-3,4-dihydropyridine?
The canonical SMILES for 4-fluoro-5-methyl-3,4-dihydropyridine is CC1=CN=CCC1F.
What is the InChIKey of 4-fluoro-5-methyl-3,4-dihydropyridine?
The InChIKey is KWNCHTSVOZILGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN/c1-5-4-8-3-2-6(5)7/h3-4,6H,2H2,1H3.
What are the key properties of 4-fluoro-5-methyl-3,4-dihydropyridine?
4-fluoro-5-methyl-3,4-dihydropyridine has a molecular weight of 113.13 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methyl-3,4-dihydropyridine is sourced from PubChem (CID 90764020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).