4-hydroxy-4-pyridin-2-ylbutanal

C9H11NO2 — CID 54060730

IUPAC4-hydroxy-4-pyridin-2-ylbutanal
SMILESO=CCCC(O)c1ccccn1
InChIInChI=1S/C9H11NO2/c11-7-3-5-9(12)8-4-1-2-6-10-8/h1-2,4,6-7,9,12H,3,5H2
InChIKeyUHVBKGQQZDVCIF-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.09
Rot. Bonds4

About 4-hydroxy-4-pyridin-2-ylbutanal

4-hydroxy-4-pyridin-2-ylbutanal (PubChem CID 54060730) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 4-hydroxy-4-pyridin-2-ylbutanal.

Molecular Properties

Compound Name4-hydroxy-4-pyridin-2-ylbutanal
PubChem CID54060730
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name4-hydroxy-4-pyridin-2-ylbutanal
SMILESO=CCCC(O)c1ccccn1
InChIInChI=1S/C9H11NO2/c11-7-3-5-9(12)8-4-1-2-6-10-8/h1-2,4,6-7,9,12H,3,5H2
InChIKeyUHVBKGQQZDVCIF-UHFFFAOYSA-N
XLogP1.09
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-pyridin-2-ylheptanal
CID 88746457
5-methyl-1-pyridin-2-ylhexan-1-ol
CID 83158842
2-chloro-1-pyridin-2-ylethanol
CID 22145518
CID 172780589
CID 172780589
1,2-dipyridin-2-ylethanol
CID 11458306
3-amino-3-methyl-1-pyridin-2-ylbutan-1-ol
CID 82408899
3-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,2-diol
CID 129382233
2-(2-bromophenoxy)-1-pyridin-2-ylethanol
CID 117241374
3-amino-1-pyridin-2-ylbutan-1-ol
CID 151032283
(2-hydroxy-2-pyridin-2-ylethyl)-oxidoazanium
CID 167327930
dipyridin-2-ylmethanol;palladium(2+);dichloride
CID 173385206
1-pyridin-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-ol
CID 115002956

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-pyridin-2-ylbutanal?
The IUPAC name of 4-hydroxy-4-pyridin-2-ylbutanal (CID 54060730) is 4-hydroxy-4-pyridin-2-ylbutanal.
What is the SMILES notation for 4-hydroxy-4-pyridin-2-ylbutanal?
The canonical SMILES for 4-hydroxy-4-pyridin-2-ylbutanal is O=CCCC(O)c1ccccn1.
What is the InChIKey of 4-hydroxy-4-pyridin-2-ylbutanal?
The InChIKey is UHVBKGQQZDVCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c11-7-3-5-9(12)8-4-1-2-6-10-8/h1-2,4,6-7,9,12H,3,5H2.
What are the key properties of 4-hydroxy-4-pyridin-2-ylbutanal?
4-hydroxy-4-pyridin-2-ylbutanal has a molecular weight of 165.19 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-pyridin-2-ylbutanal is sourced from PubChem (CID 54060730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).