5-[4-(2-hydroxypropan-2-yl)phenoxy]pyridine-2-carbaldehyde

C15H15NO3 — CID 177219370

IUPAC5-[4-(2-hydroxypropan-2-yl)phenoxy]pyridine-2-carbaldehyde
SMILESCC(C)(O)c1ccc(Oc2ccc(C=O)nc2)cc1
InChIInChI=1S/C15H15NO3/c1-15(2,18)11-3-6-13(7-4-11)19-14-8-5-12(10-17)16-9-14/h3-10,18H,1-2H3
InChIKeyOQJWIWQQBWSHNI-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.91
Rot. Bonds4

About 5-[4-(2-hydroxypropan-2-yl)phenoxy]pyridine-2-carbaldehyde

5-[4-(2-hydroxypropan-2-yl)phenoxy]pyridine-2-carbaldehyde (PubChem CID 177219370) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-[4-(2-hydroxypropan-2-yl)phenoxy]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-[4-(2-hydroxypropan-2-yl)phenoxy]pyridine-2-carbaldehyde
PubChem CID177219370
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name5-[4-(2-hydroxypropan-2-yl)phenoxy]pyridine-2-carbaldehyde
SMILESCC(C)(O)c1ccc(Oc2ccc(C=O)nc2)cc1
InChIInChI=1S/C15H15NO3/c1-15(2,18)11-3-6-13(7-4-11)19-14-8-5-12(10-17)16-9-14/h3-10,18H,1-2H3
InChIKeyOQJWIWQQBWSHNI-UHFFFAOYSA-N
XLogP2.91
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[4-(2-hydroxypropan-2-yl)phenoxy]pyridine-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-tert-butylphenyl)pyridine-2-carbaldehyde
CID 87526262
5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-2-carbaldehyde
CID 55274198
methyl 3-[(6-formyl-3-pyridinyl)oxy]-2,2-dimethylpropanoate
CID 79794322
(6-formyl-3-pyridinyl) carbamate
CID 175352673
5-(1,1-difluoro-2-hydroxyethoxy)pyridine-2-carbaldehyde;ethane
CID 176709828
5-(3-methoxy-3-methylbutoxy)pyridine-2-carbaldehyde
CID 103033835
ethane;2-[4-(5-methylpyrazin-2-yl)oxyphenyl]propan-2-ol
CID 177219448
5-cyclohexa-1,5-dien-1-yloxypyridine-2-carbaldehyde
CID 143451318
5-but-2-ynoxypyridine-2-carbaldehyde
CID 79794219
N,N-diethyl-2-[(6-formyl-3-pyridinyl)oxy]acetamide
CID 79794503
ethane;2-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]propan-2-ol
CID 177219239
5-(2-cyclopropylethoxy)pyridine-2-carbaldehyde
CID 79794927

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-hydroxypropan-2-yl)phenoxy]pyridine-2-carbaldehyde?
The IUPAC name of 5-[4-(2-hydroxypropan-2-yl)phenoxy]pyridine-2-carbaldehyde (CID 177219370) is 5-[4-(2-hydroxypropan-2-yl)phenoxy]pyridine-2-carbaldehyde.
What is the SMILES notation for 5-[4-(2-hydroxypropan-2-yl)phenoxy]pyridine-2-carbaldehyde?
The canonical SMILES for 5-[4-(2-hydroxypropan-2-yl)phenoxy]pyridine-2-carbaldehyde is CC(C)(O)c1ccc(Oc2ccc(C=O)nc2)cc1.
What is the InChIKey of 5-[4-(2-hydroxypropan-2-yl)phenoxy]pyridine-2-carbaldehyde?
The InChIKey is OQJWIWQQBWSHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-15(2,18)11-3-6-13(7-4-11)19-14-8-5-12(10-17)16-9-14/h3-10,18H,1-2H3.
What are the key properties of 5-[4-(2-hydroxypropan-2-yl)phenoxy]pyridine-2-carbaldehyde?
5-[4-(2-hydroxypropan-2-yl)phenoxy]pyridine-2-carbaldehyde has a molecular weight of 257.29 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-hydroxypropan-2-yl)phenoxy]pyridine-2-carbaldehyde is sourced from PubChem (CID 177219370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).