6-(4-hydroxyphenyl)-4-methylpyridine-2-carbaldehyde

C13H11NO2 — CID 170994530

IUPAC6-(4-hydroxyphenyl)-4-methylpyridine-2-carbaldehyde
SMILESCc1cc(C=O)nc(-c2ccc(O)cc2)c1
InChIInChI=1S/C13H11NO2/c1-9-6-11(8-15)14-13(7-9)10-2-4-12(16)5-3-10/h2-8,16H,1H3
InChIKeyAGSACFLGAJQJNP-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.58
Rot. Bonds2

About 6-(4-hydroxyphenyl)-4-methylpyridine-2-carbaldehyde

6-(4-hydroxyphenyl)-4-methylpyridine-2-carbaldehyde (PubChem CID 170994530) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 6-(4-hydroxyphenyl)-4-methylpyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-(4-hydroxyphenyl)-4-methylpyridine-2-carbaldehyde
PubChem CID170994530
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name6-(4-hydroxyphenyl)-4-methylpyridine-2-carbaldehyde
SMILESCc1cc(C=O)nc(-c2ccc(O)cc2)c1
InChIInChI=1S/C13H11NO2/c1-9-6-11(8-15)14-13(7-9)10-2-4-12(16)5-3-10/h2-8,16H,1H3
InChIKeyAGSACFLGAJQJNP-UHFFFAOYSA-N
XLogP2.58
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxyphenyl)-4-methylpyridine-2-carbaldehyde?
The IUPAC name of 6-(4-hydroxyphenyl)-4-methylpyridine-2-carbaldehyde (CID 170994530) is 6-(4-hydroxyphenyl)-4-methylpyridine-2-carbaldehyde.
What is the SMILES notation for 6-(4-hydroxyphenyl)-4-methylpyridine-2-carbaldehyde?
The canonical SMILES for 6-(4-hydroxyphenyl)-4-methylpyridine-2-carbaldehyde is Cc1cc(C=O)nc(-c2ccc(O)cc2)c1.
What is the InChIKey of 6-(4-hydroxyphenyl)-4-methylpyridine-2-carbaldehyde?
The InChIKey is AGSACFLGAJQJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c1-9-6-11(8-15)14-13(7-9)10-2-4-12(16)5-3-10/h2-8,16H,1H3.
What are the key properties of 6-(4-hydroxyphenyl)-4-methylpyridine-2-carbaldehyde?
6-(4-hydroxyphenyl)-4-methylpyridine-2-carbaldehyde has a molecular weight of 213.24 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxyphenyl)-4-methylpyridine-2-carbaldehyde is sourced from PubChem (CID 170994530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).