3-hydroxy-5-(4-propan-2-yloxyphenyl)pyridine-2-carbaldehyde

C15H15NO3 — CID 167055598

IUPAC3-hydroxy-5-(4-propan-2-yloxyphenyl)pyridine-2-carbaldehyde
SMILESCC(C)Oc1ccc(-c2cnc(C=O)c(O)c2)cc1
InChIInChI=1S/C15H15NO3/c1-10(2)19-13-5-3-11(4-6-13)12-7-15(18)14(9-17)16-8-12/h3-10,18H,1-2H3
InChIKeyYRGNVRXEZAVALS-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.05
Rot. Bonds4

About 3-hydroxy-5-(4-propan-2-yloxyphenyl)pyridine-2-carbaldehyde

3-hydroxy-5-(4-propan-2-yloxyphenyl)pyridine-2-carbaldehyde (PubChem CID 167055598) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-hydroxy-5-(4-propan-2-yloxyphenyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-hydroxy-5-(4-propan-2-yloxyphenyl)pyridine-2-carbaldehyde
PubChem CID167055598
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name3-hydroxy-5-(4-propan-2-yloxyphenyl)pyridine-2-carbaldehyde
SMILESCC(C)Oc1ccc(-c2cnc(C=O)c(O)c2)cc1
InChIInChI=1S/C15H15NO3/c1-10(2)19-13-5-3-11(4-6-13)12-7-15(18)14(9-17)16-8-12/h3-10,18H,1-2H3
InChIKeyYRGNVRXEZAVALS-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-(4-propan-2-yloxyphenyl)pyridine-2-carbaldehyde?
The IUPAC name of 3-hydroxy-5-(4-propan-2-yloxyphenyl)pyridine-2-carbaldehyde (CID 167055598) is 3-hydroxy-5-(4-propan-2-yloxyphenyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 3-hydroxy-5-(4-propan-2-yloxyphenyl)pyridine-2-carbaldehyde?
The canonical SMILES for 3-hydroxy-5-(4-propan-2-yloxyphenyl)pyridine-2-carbaldehyde is CC(C)Oc1ccc(-c2cnc(C=O)c(O)c2)cc1.
What is the InChIKey of 3-hydroxy-5-(4-propan-2-yloxyphenyl)pyridine-2-carbaldehyde?
The InChIKey is YRGNVRXEZAVALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10(2)19-13-5-3-11(4-6-13)12-7-15(18)14(9-17)16-8-12/h3-10,18H,1-2H3.
What are the key properties of 3-hydroxy-5-(4-propan-2-yloxyphenyl)pyridine-2-carbaldehyde?
3-hydroxy-5-(4-propan-2-yloxyphenyl)pyridine-2-carbaldehyde has a molecular weight of 257.29 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-(4-propan-2-yloxyphenyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 167055598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).