1-(3-hydroxy-2-pyridinyl)nonan-1-one

C14H21NO2 — CID 137395419

IUPAC1-(3-hydroxy-2-pyridinyl)nonan-1-one
SMILESCCCCCCCCC(=O)c1ncccc1O
InChIInChI=1S/C14H21NO2/c1-2-3-4-5-6-7-9-12(16)14-13(17)10-8-11-15-14/h8,10-11,17H,2-7,9H2,1H3
InChIKeyJSHXAPVEXSJSEQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.72
Rot. Bonds8

About 1-(3-hydroxy-2-pyridinyl)nonan-1-one

1-(3-hydroxy-2-pyridinyl)nonan-1-one (PubChem CID 137395419) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(3-hydroxy-2-pyridinyl)nonan-1-one.

Molecular Properties

Compound Name1-(3-hydroxy-2-pyridinyl)nonan-1-one
PubChem CID137395419
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-(3-hydroxy-2-pyridinyl)nonan-1-one
SMILESCCCCCCCCC(=O)c1ncccc1O
InChIInChI=1S/C14H21NO2/c1-2-3-4-5-6-7-9-12(16)14-13(17)10-8-11-15-14/h8,10-11,17H,2-7,9H2,1H3
InChIKeyJSHXAPVEXSJSEQ-UHFFFAOYSA-N
XLogP3.72
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethyl-2-pyridinyl)octan-1-one
CID 82730570
1-(2-methyl-3-pyridinyl)hexan-1-one
CID 105087719
1-pyridin-2-ylhexan-1-one
CID 556347
1-(3-methoxypyrazin-2-yl)octan-1-one
CID 115797152
1-(2-methoxy-3-pyridinyl)octan-1-one
CID 105086571
1-(5-methyl-1-phenylimidazol-4-yl)heptan-1-one
CID 58695744
1-pyridin-3-ylundecan-1-one
CID 19756112
3-(decanoylamino)pyridine-2-carboxylic acid
CID 104740091
1-(3-methyl-2-pyridinyl)decan-2-one
CID 66447638
1-(2-ethoxy-3-pyridinyl)hexan-1-one
CID 86237866
1-(5-dodecanoyl-2,4-dihydroxyphenyl)dodecan-1-one
CID 44588789
1-pyridin-2-yldecan-2-one
CID 62622628

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2-pyridinyl)nonan-1-one?
The IUPAC name of 1-(3-hydroxy-2-pyridinyl)nonan-1-one (CID 137395419) is 1-(3-hydroxy-2-pyridinyl)nonan-1-one.
What is the SMILES notation for 1-(3-hydroxy-2-pyridinyl)nonan-1-one?
The canonical SMILES for 1-(3-hydroxy-2-pyridinyl)nonan-1-one is CCCCCCCCC(=O)c1ncccc1O.
What is the InChIKey of 1-(3-hydroxy-2-pyridinyl)nonan-1-one?
The InChIKey is JSHXAPVEXSJSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-3-4-5-6-7-9-12(16)14-13(17)10-8-11-15-14/h8,10-11,17H,2-7,9H2,1H3.
What are the key properties of 1-(3-hydroxy-2-pyridinyl)nonan-1-one?
1-(3-hydroxy-2-pyridinyl)nonan-1-one has a molecular weight of 235.33 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2-pyridinyl)nonan-1-one is sourced from PubChem (CID 137395419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).