8-pyridin-3-yloctanoic acid;hydrochloride

C13H20ClNO2 — CID 12904565

IUPAC8-pyridin-3-yloctanoic acid;hydrochloride
SMILESCl.O=C(O)CCCCCCCc1cccnc1
InChIInChI=1S/C13H19NO2.ClH/c15-13(16)9-5-3-1-2-4-7-12-8-6-10-14-11-12;/h6,8,10-11H,1-5,7,9H2,(H,15,16);1H
InChIKeyARKHPOIXSWHQFC-UHFFFAOYSA-N
MW257.76 g/mol
LogP3.47
Rot. Bonds8

About 8-pyridin-3-yloctanoic acid;hydrochloride

8-pyridin-3-yloctanoic acid;hydrochloride (PubChem CID 12904565) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 8-pyridin-3-yloctanoic acid;hydrochloride.

Molecular Properties

Compound Name8-pyridin-3-yloctanoic acid;hydrochloride
PubChem CID12904565
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name8-pyridin-3-yloctanoic acid;hydrochloride
SMILESCl.O=C(O)CCCCCCCc1cccnc1
InChIInChI=1S/C13H19NO2.ClH/c15-13(16)9-5-3-1-2-4-7-12-8-6-10-14-11-12;/h6,8,10-11H,1-5,7,9H2,(H,15,16);1H
InChIKeyARKHPOIXSWHQFC-UHFFFAOYSA-N
XLogP3.47
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 8-pyridin-3-yloctanoic acid;hydrochloride?
The IUPAC name of 8-pyridin-3-yloctanoic acid;hydrochloride (CID 12904565) is 8-pyridin-3-yloctanoic acid;hydrochloride.
What is the SMILES notation for 8-pyridin-3-yloctanoic acid;hydrochloride?
The canonical SMILES for 8-pyridin-3-yloctanoic acid;hydrochloride is Cl.O=C(O)CCCCCCCc1cccnc1.
What is the InChIKey of 8-pyridin-3-yloctanoic acid;hydrochloride?
The InChIKey is ARKHPOIXSWHQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2.ClH/c15-13(16)9-5-3-1-2-4-7-12-8-6-10-14-11-12;/h6,8,10-11H,1-5,7,9H2,(H,15,16);1H.
What are the key properties of 8-pyridin-3-yloctanoic acid;hydrochloride?
8-pyridin-3-yloctanoic acid;hydrochloride has a molecular weight of 257.76 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pyridin-3-yloctanoic acid;hydrochloride is sourced from PubChem (CID 12904565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).