1-hexyl-4-methyl-2H-pyridine;hydron;hexafluorophosphate

C12H22F6NP — CID 161079297

IUPAC1-hexyl-4-methyl-2H-pyridine;hydron;hexafluorophosphate
SMILESCCCCCCN1C=CC(C)=CC1.F[P-](F)(F)(F)(F)F.[H+]
InChIInChI=1S/C12H21N.F6P/c1-3-4-5-6-9-13-10-7-12(2)8-11-13;1-7(2,3,4,5)6/h7-8,10H,3-6,9,11H2,1-2H3;/q;-1/p+1
InChIKeyUJRUPKIAZKAWLM-UHFFFAOYSA-O
MW325.28 g/mol
LogP6.84
Rot. Bonds5

About 1-hexyl-4-methyl-2H-pyridine;hydron;hexafluorophosphate

1-hexyl-4-methyl-2H-pyridine;hydron;hexafluorophosphate (PubChem CID 161079297) has the molecular formula C12H22F6NP and a molecular weight of 325.28 g/mol. Its IUPAC name is 1-hexyl-4-methyl-2H-pyridine;hydron;hexafluorophosphate.

Molecular Properties

Compound Name1-hexyl-4-methyl-2H-pyridine;hydron;hexafluorophosphate
PubChem CID161079297
Molecular FormulaC12H22F6NP
Molecular Weight325.28 g/mol
Exact Mass325.14
IUPAC Name1-hexyl-4-methyl-2H-pyridine;hydron;hexafluorophosphate
SMILESCCCCCCN1C=CC(C)=CC1.F[P-](F)(F)(F)(F)F.[H+]
InChIInChI=1S/C12H21N.F6P/c1-3-4-5-6-9-13-10-7-12(2)8-11-13;1-7(2,3,4,5)6/h7-8,10H,3-6,9,11H2,1-2H3;/q;-1/p+1
InChIKeyUJRUPKIAZKAWLM-UHFFFAOYSA-O
XLogP6.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.28
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-decyl-4-methyl-2H-pyridine
CID 141124014
1-hexyl-4-methyl-2H-pyridine;hydrochloride
CID 175139051
5,10,15,20-tetrakis(1-octadecyl-2H-pyridin-4-yl)-21,23-dihydroporphyrin
CID 136593498
1-pentadecyl-3-tridecyl-2H-imidazole
CID 69396629
1-hexadecyl-3-octadecyl-2H-imidazole
CID 68970156
1-heptyl-3-nonyl-2H-imidazole
CID 69393199
1-nonyl-3-undecyl-2H-imidazole
CID 69391482
1-dodecyl-3-octadecyl-2H-imidazole
CID 68899578
1-octyl-3-undecyl-2H-imidazole
CID 69389433
1-hexyl-3-nonadecyl-2H-imidazole
CID 69396204
1,3-di(nonyl)-2H-imidazole
CID 69395396
1-hexyl-3-octadecyl-2H-imidazole
CID 68966514

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-4-methyl-2H-pyridine;hydron;hexafluorophosphate?
The IUPAC name of 1-hexyl-4-methyl-2H-pyridine;hydron;hexafluorophosphate (CID 161079297) is 1-hexyl-4-methyl-2H-pyridine;hydron;hexafluorophosphate.
What is the SMILES notation for 1-hexyl-4-methyl-2H-pyridine;hydron;hexafluorophosphate?
The canonical SMILES for 1-hexyl-4-methyl-2H-pyridine;hydron;hexafluorophosphate is CCCCCCN1C=CC(C)=CC1.F[P-](F)(F)(F)(F)F.[H+].
What is the InChIKey of 1-hexyl-4-methyl-2H-pyridine;hydron;hexafluorophosphate?
The InChIKey is UJRUPKIAZKAWLM-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H21N.F6P/c1-3-4-5-6-9-13-10-7-12(2)8-11-13;1-7(2,3,4,5)6/h7-8,10H,3-6,9,11H2,1-2H3;/q;-1/p+1.
What are the key properties of 1-hexyl-4-methyl-2H-pyridine;hydron;hexafluorophosphate?
1-hexyl-4-methyl-2H-pyridine;hydron;hexafluorophosphate has a molecular weight of 325.28 g/mol, XLogP of 6.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-4-methyl-2H-pyridine;hydron;hexafluorophosphate is sourced from PubChem (CID 161079297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).