6-pyridin-3-ylhexanoic acid

C11H15NO2 — CID 12904560

IUPAC6-pyridin-3-ylhexanoic acid
SMILESO=C(O)CCCCCc1cccnc1
InChIInChI=1S/C11H15NO2/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)
InChIKeyCGOPUHYJTQSAKZ-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.27
Rot. Bonds6

About 6-pyridin-3-ylhexanoic acid

6-pyridin-3-ylhexanoic acid (PubChem CID 12904560) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 6-pyridin-3-ylhexanoic acid.

Molecular Properties

Compound Name6-pyridin-3-ylhexanoic acid
PubChem CID12904560
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name6-pyridin-3-ylhexanoic acid
SMILESO=C(O)CCCCCc1cccnc1
InChIInChI=1S/C11H15NO2/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)
InChIKeyCGOPUHYJTQSAKZ-UHFFFAOYSA-N
XLogP2.27
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.27
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 6-pyridin-3-ylhexanoic acid?
The IUPAC name of 6-pyridin-3-ylhexanoic acid (CID 12904560) is 6-pyridin-3-ylhexanoic acid.
What is the SMILES notation for 6-pyridin-3-ylhexanoic acid?
The canonical SMILES for 6-pyridin-3-ylhexanoic acid is O=C(O)CCCCCc1cccnc1.
What is the InChIKey of 6-pyridin-3-ylhexanoic acid?
The InChIKey is CGOPUHYJTQSAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/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).
What are the key properties of 6-pyridin-3-ylhexanoic acid?
6-pyridin-3-ylhexanoic acid has a molecular weight of 193.25 g/mol, XLogP of 2.27, 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 is sourced from PubChem (CID 12904560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).