3-(3-ethyl-4-pyridinyl)pentane-1,5-diol

C12H19NO2 — CID 26793167

IUPAC3-(3-ethyl-4-pyridinyl)pentane-1,5-diol
SMILESCCc1cnccc1C(CCO)CCO
InChIInChI=1S/C12H19NO2/c1-2-10-9-13-6-3-12(10)11(4-7-14)5-8-15/h3,6,9,11,14-15H,2,4-5,7-8H2,1H3
InChIKeyHYXNGGPDDBRXMQ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.49
Rot. Bonds6

About 3-(3-ethyl-4-pyridinyl)pentane-1,5-diol

3-(3-ethyl-4-pyridinyl)pentane-1,5-diol (PubChem CID 26793167) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-(3-ethyl-4-pyridinyl)pentane-1,5-diol.

Molecular Properties

Compound Name3-(3-ethyl-4-pyridinyl)pentane-1,5-diol
PubChem CID26793167
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3-(3-ethyl-4-pyridinyl)pentane-1,5-diol
SMILESCCc1cnccc1C(CCO)CCO
InChIInChI=1S/C12H19NO2/c1-2-10-9-13-6-3-12(10)11(4-7-14)5-8-15/h3,6,9,11,14-15H,2,4-5,7-8H2,1H3
InChIKeyHYXNGGPDDBRXMQ-UHFFFAOYSA-N
XLogP1.49
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-4-(6-phenylhexan-3-yl)pyridine
CID 14883833
3-ethyl-4-(5-methyl-1-phenylhexan-3-yl)pyridine
CID 19783340
ethane;(4-ethyl-3-pyridinyl)methanol;propane
CID 142370025
3,4-diethylpyridine;ethane
CID 90914060
N-ethyl-1-(3-ethyl-4-pyridinyl)-2-methylpentan-1-amine
CID 114013828
(3-ethyl-4-pyridinyl)-(3-methyltriazol-4-yl)methanamine
CID 114688955
[1-(3-ethyl-4-pyridinyl)-4,4,4-trifluorobutyl]hydrazine
CID 105262044
(2,3-difluoro-4-methylphenyl)-(3-ethyl-4-pyridinyl)methanol
CID 107512987
1-(3-ethyl-4-pyridinyl)prop-2-ynylhydrazine
CID 105262150
2-(4-propan-2-yl-3-pyridinyl)acetic acid
CID 82409628
N-ethyl-1-(3-ethyl-4-pyridinyl)-4-methoxybutan-1-amine
CID 114856842
1-(3-ethyl-4-pyridinyl)-2-(furan-2-yl)ethanol
CID 83175179

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-4-pyridinyl)pentane-1,5-diol?
The IUPAC name of 3-(3-ethyl-4-pyridinyl)pentane-1,5-diol (CID 26793167) is 3-(3-ethyl-4-pyridinyl)pentane-1,5-diol.
What is the SMILES notation for 3-(3-ethyl-4-pyridinyl)pentane-1,5-diol?
The canonical SMILES for 3-(3-ethyl-4-pyridinyl)pentane-1,5-diol is CCc1cnccc1C(CCO)CCO.
What is the InChIKey of 3-(3-ethyl-4-pyridinyl)pentane-1,5-diol?
The InChIKey is HYXNGGPDDBRXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-2-10-9-13-6-3-12(10)11(4-7-14)5-8-15/h3,6,9,11,14-15H,2,4-5,7-8H2,1H3.
What are the key properties of 3-(3-ethyl-4-pyridinyl)pentane-1,5-diol?
3-(3-ethyl-4-pyridinyl)pentane-1,5-diol has a molecular weight of 209.29 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-4-pyridinyl)pentane-1,5-diol is sourced from PubChem (CID 26793167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).