hydron;1-pentyl-2H-pyridine;tetrafluoroborate

C10H18BF4N — CID 174556295

IUPAChydron;1-pentyl-2H-pyridine;tetrafluoroborate
SMILESCCCCCN1C=CC=CC1.F[B-](F)(F)F.[H+]
InChIInChI=1S/C10H17N.BF4/c1-2-3-5-8-11-9-6-4-7-10-11;2-1(3,4)5/h4,6-7,9H,2-3,5,8,10H2,1H3;/q;-1/p+1
InChIKeyIWAONMXRBMNXJO-UHFFFAOYSA-O
MW239.07 g/mol
LogP3.97
Rot. Bonds4

About hydron;1-pentyl-2H-pyridine;tetrafluoroborate

hydron;1-pentyl-2H-pyridine;tetrafluoroborate (PubChem CID 174556295) has the molecular formula C10H18BF4N and a molecular weight of 239.07 g/mol. Its IUPAC name is hydron;1-pentyl-2H-pyridine;tetrafluoroborate.

Molecular Properties

Compound Namehydron;1-pentyl-2H-pyridine;tetrafluoroborate
PubChem CID174556295
Molecular FormulaC10H18BF4N
Molecular Weight239.07 g/mol
Exact Mass239.15
IUPAC Namehydron;1-pentyl-2H-pyridine;tetrafluoroborate
SMILESCCCCCN1C=CC=CC1.F[B-](F)(F)F.[H+]
InChIInChI=1S/C10H17N.BF4/c1-2-3-5-8-11-9-6-4-7-10-11;2-1(3,4)5/h4,6-7,9H,2-3,5,8,10H2,1H3;/q;-1/p+1
InChIKeyIWAONMXRBMNXJO-UHFFFAOYSA-O
XLogP3.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydron;1-pentyl-2H-pyridine;tetrafluoroborate?
The IUPAC name of hydron;1-pentyl-2H-pyridine;tetrafluoroborate (CID 174556295) is hydron;1-pentyl-2H-pyridine;tetrafluoroborate.
What is the SMILES notation for hydron;1-pentyl-2H-pyridine;tetrafluoroborate?
The canonical SMILES for hydron;1-pentyl-2H-pyridine;tetrafluoroborate is CCCCCN1C=CC=CC1.F[B-](F)(F)F.[H+].
What is the InChIKey of hydron;1-pentyl-2H-pyridine;tetrafluoroborate?
The InChIKey is IWAONMXRBMNXJO-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H17N.BF4/c1-2-3-5-8-11-9-6-4-7-10-11;2-1(3,4)5/h4,6-7,9H,2-3,5,8,10H2,1H3;/q;-1/p+1.
What are the key properties of hydron;1-pentyl-2H-pyridine;tetrafluoroborate?
hydron;1-pentyl-2H-pyridine;tetrafluoroborate has a molecular weight of 239.07 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;1-pentyl-2H-pyridine;tetrafluoroborate is sourced from PubChem (CID 174556295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).