1-pentyl-2H-pyridine;hydrofluoride

C10H18FN — CID 174946018

IUPAC1-pentyl-2H-pyridine;hydrofluoride
SMILESCCCCCN1C=CC=CC1.F
InChIInChI=1S/C10H17N.FH/c1-2-3-5-8-11-9-6-4-7-10-11;/h4,6-7,9H,2-3,5,8,10H2,1H3;1H
InChIKeyQNAPAYKFAKAUTP-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.71
Rot. Bonds4

About 1-pentyl-2H-pyridine;hydrofluoride

1-pentyl-2H-pyridine;hydrofluoride (PubChem CID 174946018) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 1-pentyl-2H-pyridine;hydrofluoride.

Molecular Properties

Compound Name1-pentyl-2H-pyridine;hydrofluoride
PubChem CID174946018
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name1-pentyl-2H-pyridine;hydrofluoride
SMILESCCCCCN1C=CC=CC1.F
InChIInChI=1S/C10H17N.FH/c1-2-3-5-8-11-9-6-4-7-10-11;/h4,6-7,9H,2-3,5,8,10H2,1H3;1H
InChIKeyQNAPAYKFAKAUTP-UHFFFAOYSA-N
XLogP2.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-pentyl-2H-pyridine;hydrofluoride?
The IUPAC name of 1-pentyl-2H-pyridine;hydrofluoride (CID 174946018) is 1-pentyl-2H-pyridine;hydrofluoride.
What is the SMILES notation for 1-pentyl-2H-pyridine;hydrofluoride?
The canonical SMILES for 1-pentyl-2H-pyridine;hydrofluoride is CCCCCN1C=CC=CC1.F.
What is the InChIKey of 1-pentyl-2H-pyridine;hydrofluoride?
The InChIKey is QNAPAYKFAKAUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N.FH/c1-2-3-5-8-11-9-6-4-7-10-11;/h4,6-7,9H,2-3,5,8,10H2,1H3;1H.
What are the key properties of 1-pentyl-2H-pyridine;hydrofluoride?
1-pentyl-2H-pyridine;hydrofluoride has a molecular weight of 171.26 g/mol, XLogP of 2.71, 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;hydrofluoride is sourced from PubChem (CID 174946018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).