1-pentyl-2H-pyridine tetrafluoroborate

C10H17BF4N- — CID 158822398

IUPAC1-pentyl-2H-pyridine tetrafluoroborate
SMILESCCCCCN1C=CC=CC1.F[B-](F)(F)F
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
InChIKeyIWAONMXRBMNXJO-UHFFFAOYSA-N
MW238.06 g/mol
LogP3.86
Rot. Bonds4

About 1-pentyl-2H-pyridine tetrafluoroborate

1-pentyl-2H-pyridine tetrafluoroborate (PubChem CID 158822398) has the molecular formula C10H17BF4N- and a molecular weight of 238.06 g/mol. Its IUPAC name is 1-pentyl-2H-pyridine tetrafluoroborate.

Molecular Properties

Compound Name1-pentyl-2H-pyridine tetrafluoroborate
PubChem CID158822398
Molecular FormulaC10H17BF4N-
Molecular Weight238.06 g/mol
Exact Mass238.14
IUPAC Name1-pentyl-2H-pyridine tetrafluoroborate
SMILESCCCCCN1C=CC=CC1.F[B-](F)(F)F
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
InChIKeyIWAONMXRBMNXJO-UHFFFAOYSA-N
XLogP3.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.06
LogP ≤ 53.86
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 1-pentyl-2H-pyridine tetrafluoroborate?
The IUPAC name of 1-pentyl-2H-pyridine tetrafluoroborate (CID 158822398) is 1-pentyl-2H-pyridine tetrafluoroborate.
What is the SMILES notation for 1-pentyl-2H-pyridine tetrafluoroborate?
The canonical SMILES for 1-pentyl-2H-pyridine tetrafluoroborate is CCCCCN1C=CC=CC1.F[B-](F)(F)F.
What is the InChIKey of 1-pentyl-2H-pyridine tetrafluoroborate?
The InChIKey is IWAONMXRBMNXJO-UHFFFAOYSA-N. 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.
What are the key properties of 1-pentyl-2H-pyridine tetrafluoroborate?
1-pentyl-2H-pyridine tetrafluoroborate has a molecular weight of 238.06 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-2H-pyridine tetrafluoroborate is sourced from PubChem (CID 158822398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).