8-pyridin-3-yloctan-1-ol

C13H21NO — CID 11830623

IUPAC8-pyridin-3-yloctan-1-ol
SMILESOCCCCCCCCc1cccnc1
InChIInChI=1S/C13H21NO/c15-11-6-4-2-1-3-5-8-13-9-7-10-14-12-13/h7,9-10,12,15H,1-6,8,11H2
InChIKeyZHPQAUZSUUMCJX-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.96
Rot. Bonds8

About 8-pyridin-3-yloctan-1-ol

8-pyridin-3-yloctan-1-ol (PubChem CID 11830623) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 8-pyridin-3-yloctan-1-ol.

Molecular Properties

Compound Name8-pyridin-3-yloctan-1-ol
PubChem CID11830623
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name8-pyridin-3-yloctan-1-ol
SMILESOCCCCCCCCc1cccnc1
InChIInChI=1S/C13H21NO/c15-11-6-4-2-1-3-5-8-13-9-7-10-14-12-13/h7,9-10,12,15H,1-6,8,11H2
InChIKeyZHPQAUZSUUMCJX-UHFFFAOYSA-N
XLogP2.96
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.96
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

ethane;4-pyridin-3-ylbutan-1-ol
CID 177219832
(E)-12-pyridin-3-yldodec-3-en-1-ol
CID 11043541
argon;2-pyridin-3-ylethanol
CID 159015973
8-pyridin-3-yloctane-1-sulfonic acid
CID 102468636
3-(14-methylpentadecyl)pyridine
CID 19697272
N-methyl-14-pyridin-3-yltetradecan-1-amine
CID 11001217
5-pyridin-3-ylpentanedithioic acid
CID 87480230
[4-(2-pyridin-3-ylethyl)phenyl]methanol
CID 57319891
3-(5-methylhexyl)pyridine
CID 54316004
3-[(E)-7-iodohept-6-enyl]pyridine
CID 11833526
(2S)-5-pyridin-3-ylpentan-2-ol
CID 10899042
16-pyridin-3-ylhexadec-7-yn-1-amine
CID 10448383

Frequently Asked Questions

What is the IUPAC name of 8-pyridin-3-yloctan-1-ol?
The IUPAC name of 8-pyridin-3-yloctan-1-ol (CID 11830623) is 8-pyridin-3-yloctan-1-ol.
What is the SMILES notation for 8-pyridin-3-yloctan-1-ol?
The canonical SMILES for 8-pyridin-3-yloctan-1-ol is OCCCCCCCCc1cccnc1.
What is the InChIKey of 8-pyridin-3-yloctan-1-ol?
The InChIKey is ZHPQAUZSUUMCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c15-11-6-4-2-1-3-5-8-13-9-7-10-14-12-13/h7,9-10,12,15H,1-6,8,11H2.
What are the key properties of 8-pyridin-3-yloctan-1-ol?
8-pyridin-3-yloctan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pyridin-3-yloctan-1-ol is sourced from PubChem (CID 11830623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).