12-pyridin-3-yldodec-11-yn-2-ol

C17H25NO — CID 11207673

IUPAC12-pyridin-3-yldodec-11-yn-2-ol
SMILESCC(O)CCCCCCCCC#Cc1cccnc1
InChIInChI=1S/C17H25NO/c1-16(19)11-8-6-4-2-3-5-7-9-12-17-13-10-14-18-15-17/h10,13-16,19H,2-8,11H2,1H3
InChIKeyLTGZTAWPUQDAMB-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.93
Rot. Bonds8

About 12-pyridin-3-yldodec-11-yn-2-ol

12-pyridin-3-yldodec-11-yn-2-ol (PubChem CID 11207673) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 12-pyridin-3-yldodec-11-yn-2-ol.

Molecular Properties

Compound Name12-pyridin-3-yldodec-11-yn-2-ol
PubChem CID11207673
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name12-pyridin-3-yldodec-11-yn-2-ol
SMILESCC(O)CCCCCCCCC#Cc1cccnc1
InChIInChI=1S/C17H25NO/c1-16(19)11-8-6-4-2-3-5-7-9-12-17-13-10-14-18-15-17/h10,13-16,19H,2-8,11H2,1H3
InChIKeyLTGZTAWPUQDAMB-UHFFFAOYSA-N
XLogP3.93
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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(2S)-5-pyridin-3-ylpentan-2-ol
CID 10899042
2-hydroxy-13-phenyltridec-12-ynoic acid
CID 71119642
3-(2-diethoxyphosphorylethynyl)pyridine
CID 11107433
N-methyl-N-propyl-3-pyridin-3-ylprop-2-yn-1-amine
CID 10631478
8-(oxan-2-yloxy)-1-pyridin-3-yloct-1-yn-4-ol
CID 11779758
N'-methyl-N'-(3-pyridin-3-ylprop-2-ynyl)ethane-1,2-diamine
CID 130649548
3-[2-(4-methylphenyl)ethynyl]pyridine
CID 11252533
2-pyridin-3-ylethynylboronic acid
CID 57416299
tridec-1-ynylbenzene
CID 19991064
3-pyridin-3-ylprop-2-ynoic acid;hydrochloride
CID 119081448

Frequently Asked Questions

What is the IUPAC name of 12-pyridin-3-yldodec-11-yn-2-ol?
The IUPAC name of 12-pyridin-3-yldodec-11-yn-2-ol (CID 11207673) is 12-pyridin-3-yldodec-11-yn-2-ol.
What is the SMILES notation for 12-pyridin-3-yldodec-11-yn-2-ol?
The canonical SMILES for 12-pyridin-3-yldodec-11-yn-2-ol is CC(O)CCCCCCCCC#Cc1cccnc1.
What is the InChIKey of 12-pyridin-3-yldodec-11-yn-2-ol?
The InChIKey is LTGZTAWPUQDAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-16(19)11-8-6-4-2-3-5-7-9-12-17-13-10-14-18-15-17/h10,13-16,19H,2-8,11H2,1H3.
What are the key properties of 12-pyridin-3-yldodec-11-yn-2-ol?
12-pyridin-3-yldodec-11-yn-2-ol has a molecular weight of 259.39 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-pyridin-3-yldodec-11-yn-2-ol is sourced from PubChem (CID 11207673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).