5-fluoro-1-(3-methylbut-3-enyl)-3,6-dihydro-2H-pyridine

C10H16FN — CID 130621576

IUPAC5-fluoro-1-(3-methylbut-3-enyl)-3,6-dihydro-2H-pyridine
SMILESC=C(C)CCN1CCC=C(F)C1
InChIInChI=1S/C10H16FN/c1-9(2)5-7-12-6-3-4-10(11)8-12/h4H,1,3,5-8H2,2H3
InChIKeySIQIHUSVUMIWCS-UHFFFAOYSA-N
MW169.24 g/mol
LogP2.51
Rot. Bonds3

About 5-fluoro-1-(3-methylbut-3-enyl)-3,6-dihydro-2H-pyridine

5-fluoro-1-(3-methylbut-3-enyl)-3,6-dihydro-2H-pyridine (PubChem CID 130621576) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is 5-fluoro-1-(3-methylbut-3-enyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-fluoro-1-(3-methylbut-3-enyl)-3,6-dihydro-2H-pyridine
PubChem CID130621576
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name5-fluoro-1-(3-methylbut-3-enyl)-3,6-dihydro-2H-pyridine
SMILESC=C(C)CCN1CCC=C(F)C1
InChIInChI=1S/C10H16FN/c1-9(2)5-7-12-6-3-4-10(11)8-12/h4H,1,3,5-8H2,2H3
InChIKeySIQIHUSVUMIWCS-UHFFFAOYSA-N
XLogP2.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-1-methyl-3,6-dihydro-2H-pyridine
CID 21345321
1,5-Diethyl-1,2,3,6-tetrahydropyridine
CID 641110
Pyridine, 1,2,3,6-tetrahydro-1,4-dimethyl-
CID 11389372
Pyridine, 1,2,3,6-tetrahydro-1,5-dimethyl-
CID 12227310
Pyridine, 1,2,5,6-tetrahydro-1,2,4-trimethyl-
CID 23423765
3,5-dimethyl-N-butylpyridine
CID 141135275
1-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 20612496
4-fluoro-1-methyl-3,6-dihydro-2H-pyridine
CID 58799112
5-fluoro-1-methyl-3,6-dihydro-2H-pyridine
CID 58799114
4-methyl-1-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 68099687
(5Z,7R)-7-fluoro-1,7-dimethyl-2,3,4,8-tetrahydroazocine
CID 69192057
4-methyl-1-(3,3,3-trifluoropropyl)-3,6-dihydro-2H-pyridine
CID 69929361

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(3-methylbut-3-enyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-fluoro-1-(3-methylbut-3-enyl)-3,6-dihydro-2H-pyridine (CID 130621576) is 5-fluoro-1-(3-methylbut-3-enyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-fluoro-1-(3-methylbut-3-enyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-fluoro-1-(3-methylbut-3-enyl)-3,6-dihydro-2H-pyridine is C=C(C)CCN1CCC=C(F)C1.
What is the InChIKey of 5-fluoro-1-(3-methylbut-3-enyl)-3,6-dihydro-2H-pyridine?
The InChIKey is SIQIHUSVUMIWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN/c1-9(2)5-7-12-6-3-4-10(11)8-12/h4H,1,3,5-8H2,2H3.
What are the key properties of 5-fluoro-1-(3-methylbut-3-enyl)-3,6-dihydro-2H-pyridine?
5-fluoro-1-(3-methylbut-3-enyl)-3,6-dihydro-2H-pyridine has a molecular weight of 169.24 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(3-methylbut-3-enyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 130621576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).