6-[4-fluoro-2-(3-methylpent-1-en-3-yl)phenyl]-1-methyl-2H-pyridine;pentane

C23H34FN — CID 143714631

IUPAC6-[4-fluoro-2-(3-methylpent-1-en-3-yl)phenyl]-1-methyl-2H-pyridine;pentane
SMILESC=CC(C)(CC)c1cc(F)ccc1C1=CC=CCN1C.CCCCC
InChIInChI=1S/C18H22FN.C5H12/c1-5-18(3,6-2)16-13-14(19)10-11-15(16)17-9-7-8-12-20(17)4;1-3-5-4-2/h5,7-11,13H,1,6,12H2,2-4H3;3-5H2,1-2H3
InChIKeyHTYKGIIPTQMNHY-UHFFFAOYSA-N
MW343.53 g/mol
LogP6.72
Rot. Bonds6

About 6-[4-fluoro-2-(3-methylpent-1-en-3-yl)phenyl]-1-methyl-2H-pyridine;pentane

6-[4-fluoro-2-(3-methylpent-1-en-3-yl)phenyl]-1-methyl-2H-pyridine;pentane (PubChem CID 143714631) has the molecular formula C23H34FN and a molecular weight of 343.53 g/mol. Its IUPAC name is 6-[4-fluoro-2-(3-methylpent-1-en-3-yl)phenyl]-1-methyl-2H-pyridine;pentane.

Molecular Properties

Compound Name6-[4-fluoro-2-(3-methylpent-1-en-3-yl)phenyl]-1-methyl-2H-pyridine;pentane
PubChem CID143714631
Molecular FormulaC23H34FN
Molecular Weight343.53 g/mol
Exact Mass343.27
IUPAC Name6-[4-fluoro-2-(3-methylpent-1-en-3-yl)phenyl]-1-methyl-2H-pyridine;pentane
SMILESC=CC(C)(CC)c1cc(F)ccc1C1=CC=CCN1C.CCCCC
InChIInChI=1S/C18H22FN.C5H12/c1-5-18(3,6-2)16-13-14(19)10-11-15(16)17-9-7-8-12-20(17)4;1-3-5-4-2/h5,7-11,13H,1,6,12H2,2-4H3;3-5H2,1-2H3
InChIKeyHTYKGIIPTQMNHY-UHFFFAOYSA-N
XLogP6.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.53
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[4-fluoro-2-(3-methylpent-1-en-3-yl)phenyl]-1-methyl-2H-pyridine;pentane?
The IUPAC name of 6-[4-fluoro-2-(3-methylpent-1-en-3-yl)phenyl]-1-methyl-2H-pyridine;pentane (CID 143714631) is 6-[4-fluoro-2-(3-methylpent-1-en-3-yl)phenyl]-1-methyl-2H-pyridine;pentane.
What is the SMILES notation for 6-[4-fluoro-2-(3-methylpent-1-en-3-yl)phenyl]-1-methyl-2H-pyridine;pentane?
The canonical SMILES for 6-[4-fluoro-2-(3-methylpent-1-en-3-yl)phenyl]-1-methyl-2H-pyridine;pentane is C=CC(C)(CC)c1cc(F)ccc1C1=CC=CCN1C.CCCCC.
What is the InChIKey of 6-[4-fluoro-2-(3-methylpent-1-en-3-yl)phenyl]-1-methyl-2H-pyridine;pentane?
The InChIKey is HTYKGIIPTQMNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN.C5H12/c1-5-18(3,6-2)16-13-14(19)10-11-15(16)17-9-7-8-12-20(17)4;1-3-5-4-2/h5,7-11,13H,1,6,12H2,2-4H3;3-5H2,1-2H3.
What are the key properties of 6-[4-fluoro-2-(3-methylpent-1-en-3-yl)phenyl]-1-methyl-2H-pyridine;pentane?
6-[4-fluoro-2-(3-methylpent-1-en-3-yl)phenyl]-1-methyl-2H-pyridine;pentane has a molecular weight of 343.53 g/mol, XLogP of 6.72, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-fluoro-2-(3-methylpent-1-en-3-yl)phenyl]-1-methyl-2H-pyridine;pentane is sourced from PubChem (CID 143714631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).