5-pyridin-3-ylpentanoic acid;hydrochloride

C10H14ClNO2 — CID 12904539

IUPAC5-pyridin-3-ylpentanoic acid;hydrochloride
SMILESCl.O=C(O)CCCCc1cccnc1
InChIInChI=1S/C10H13NO2.ClH/c12-10(13)6-2-1-4-9-5-3-7-11-8-9;/h3,5,7-8H,1-2,4,6H2,(H,12,13);1H
InChIKeyGZJFBMDPUPJXHG-UHFFFAOYSA-N
MW215.68 g/mol
LogP2.30
Rot. Bonds5

About 5-pyridin-3-ylpentanoic acid;hydrochloride

5-pyridin-3-ylpentanoic acid;hydrochloride (PubChem CID 12904539) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 5-pyridin-3-ylpentanoic acid;hydrochloride.

Molecular Properties

Compound Name5-pyridin-3-ylpentanoic acid;hydrochloride
PubChem CID12904539
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name5-pyridin-3-ylpentanoic acid;hydrochloride
SMILESCl.O=C(O)CCCCc1cccnc1
InChIInChI=1S/C10H13NO2.ClH/c12-10(13)6-2-1-4-9-5-3-7-11-8-9;/h3,5,7-8H,1-2,4,6H2,(H,12,13);1H
InChIKeyGZJFBMDPUPJXHG-UHFFFAOYSA-N
XLogP2.30
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 52.30
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 5-pyridin-3-ylpentanoic acid;hydrochloride?
The IUPAC name of 5-pyridin-3-ylpentanoic acid;hydrochloride (CID 12904539) is 5-pyridin-3-ylpentanoic acid;hydrochloride.
What is the SMILES notation for 5-pyridin-3-ylpentanoic acid;hydrochloride?
The canonical SMILES for 5-pyridin-3-ylpentanoic acid;hydrochloride is Cl.O=C(O)CCCCc1cccnc1.
What is the InChIKey of 5-pyridin-3-ylpentanoic acid;hydrochloride?
The InChIKey is GZJFBMDPUPJXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.ClH/c12-10(13)6-2-1-4-9-5-3-7-11-8-9;/h3,5,7-8H,1-2,4,6H2,(H,12,13);1H.
What are the key properties of 5-pyridin-3-ylpentanoic acid;hydrochloride?
5-pyridin-3-ylpentanoic acid;hydrochloride has a molecular weight of 215.68 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-ylpentanoic acid;hydrochloride is sourced from PubChem (CID 12904539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).