5-fluoro-1-methyl-3,6-dihydro-2H-pyridine

C6H10FN — CID 58799114

IUPAC5-fluoro-1-methyl-3,6-dihydro-2H-pyridine
SMILESCN1CCC=C(F)C1
InChIInChI=1S/C6H10FN/c1-8-4-2-3-6(7)5-8/h3H,2,4-5H2,1H3
InChIKeyAANGEOCYNNYGEB-UHFFFAOYSA-N
MW115.15 g/mol
LogP1.18
Rot. Bonds

About 5-fluoro-1-methyl-3,6-dihydro-2H-pyridine

5-fluoro-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 58799114) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is 5-fluoro-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-fluoro-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID58799114
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name5-fluoro-1-methyl-3,6-dihydro-2H-pyridine
SMILESCN1CCC=C(F)C1
InChIInChI=1S/C6H10FN/c1-8-4-2-3-6(7)5-8/h3H,2,4-5H2,1H3
InChIKeyAANGEOCYNNYGEB-UHFFFAOYSA-N
XLogP1.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.15
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Ethyl-1,2,3,6-tetrahydropyridine
CID 247451
1-Methyl-1,2,3,6-tetrahydropyridine
CID 69666
1-Methyl-1,2,3,6-tetrahydropyridine hydrochloride
CID 2724681
Pyridine, 1,2,3,6-tetrahydro-1,4-dimethyl-
CID 11389372
1-Propyl-1,2,3,6-tetrahydropyridine
CID 357826
(r,s)-1,6-Dimethyl-1,2,3,6-tetrahydro-pyridine
CID 641109
Pyridine, 1,2,3,6-tetrahydro-1,5-dimethyl-
CID 12227310
Pyridine, 1,2,5,6-tetrahydro-1,2-dimethyl-
CID 565859
1,3-dimethyl-3,6-dihydro-2H-pyridine
CID 12437849
Pyridine, 1,2,3,6-tetrahydro-1-(2-propenyl)-
CID 3056838
1-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 20612496
4-fluoro-1-methyl-3,6-dihydro-2H-pyridine
CID 58799112

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-fluoro-1-methyl-3,6-dihydro-2H-pyridine (CID 58799114) is 5-fluoro-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-fluoro-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-fluoro-1-methyl-3,6-dihydro-2H-pyridine is CN1CCC=C(F)C1.
What is the InChIKey of 5-fluoro-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is AANGEOCYNNYGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN/c1-8-4-2-3-6(7)5-8/h3H,2,4-5H2,1H3.
What are the key properties of 5-fluoro-1-methyl-3,6-dihydro-2H-pyridine?
5-fluoro-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 115.15 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 58799114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).