6-pyridin-3-ylhexanoic acid;hydrochloride

C11H16ClNO2 — CID 12904561

IUPAC6-pyridin-3-ylhexanoic acid;hydrochloride
SMILESCl.O=C(O)CCCCCc1cccnc1
InChIInChI=1S/C11H15NO2.ClH/c13-11(14)7-3-1-2-5-10-6-4-8-12-9-10;/h4,6,8-9H,1-3,5,7H2,(H,13,14);1H
InChIKeyFIWANLOYUBGUGO-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.69
Rot. Bonds6

About 6-pyridin-3-ylhexanoic acid;hydrochloride

6-pyridin-3-ylhexanoic acid;hydrochloride (PubChem CID 12904561) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 6-pyridin-3-ylhexanoic acid;hydrochloride.

Molecular Properties

Compound Name6-pyridin-3-ylhexanoic acid;hydrochloride
PubChem CID12904561
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name6-pyridin-3-ylhexanoic acid;hydrochloride
SMILESCl.O=C(O)CCCCCc1cccnc1
InChIInChI=1S/C11H15NO2.ClH/c13-11(14)7-3-1-2-5-10-6-4-8-12-9-10;/h4,6,8-9H,1-3,5,7H2,(H,13,14);1H
InChIKeyFIWANLOYUBGUGO-UHFFFAOYSA-N
XLogP2.69
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.69
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-pyridin-3-ylhexanoic acid;hydrochloride?
The IUPAC name of 6-pyridin-3-ylhexanoic acid;hydrochloride (CID 12904561) is 6-pyridin-3-ylhexanoic acid;hydrochloride.
What is the SMILES notation for 6-pyridin-3-ylhexanoic acid;hydrochloride?
The canonical SMILES for 6-pyridin-3-ylhexanoic acid;hydrochloride is Cl.O=C(O)CCCCCc1cccnc1.
What is the InChIKey of 6-pyridin-3-ylhexanoic acid;hydrochloride?
The InChIKey is FIWANLOYUBGUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.ClH/c13-11(14)7-3-1-2-5-10-6-4-8-12-9-10;/h4,6,8-9H,1-3,5,7H2,(H,13,14);1H.
What are the key properties of 6-pyridin-3-ylhexanoic acid;hydrochloride?
6-pyridin-3-ylhexanoic acid;hydrochloride has a molecular weight of 229.71 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-3-ylhexanoic acid;hydrochloride is sourced from PubChem (CID 12904561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).