4-hydroxy-3-(4-methoxy-2-pyridinyl)benzaldehyde

C13H11NO3 — CID 136954896

IUPAC4-hydroxy-3-(4-methoxy-2-pyridinyl)benzaldehyde
SMILESCOc1ccnc(-c2cc(C=O)ccc2O)c1
InChIInChI=1S/C13H11NO3/c1-17-10-4-5-14-12(7-10)11-6-9(8-15)2-3-13(11)16/h2-8,16H,1H3
InChIKeyWKSRZNZUMDPUQK-UHFFFAOYSA-N
MW229.24 g/mol
LogP2.28
Rot. Bonds3

About 4-hydroxy-3-(4-methoxy-2-pyridinyl)benzaldehyde

4-hydroxy-3-(4-methoxy-2-pyridinyl)benzaldehyde (PubChem CID 136954896) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is 4-hydroxy-3-(4-methoxy-2-pyridinyl)benzaldehyde.

Molecular Properties

Compound Name4-hydroxy-3-(4-methoxy-2-pyridinyl)benzaldehyde
PubChem CID136954896
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Name4-hydroxy-3-(4-methoxy-2-pyridinyl)benzaldehyde
SMILESCOc1ccnc(-c2cc(C=O)ccc2O)c1
InChIInChI=1S/C13H11NO3/c1-17-10-4-5-14-12(7-10)11-6-9(8-15)2-3-13(11)16/h2-8,16H,1H3
InChIKeyWKSRZNZUMDPUQK-UHFFFAOYSA-N
XLogP2.28
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-3-(5-methoxypyridazin-3-yl)benzaldehyde
CID 136954894
2-(4-methoxy-2-pyridinyl)-4-nitrophenol
CID 135847666
3-(4-formyl-2-pyridinyl)-4-hydroxybenzonitrile
CID 136954901
4-[(E)-2-(3-aminophenyl)ethenyl]-2-(4-ethoxy-2-pyridinyl)phenol
CID 155527563
bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);decakis(oxygen(2-));tungsten;bis(vanadium)
CID 53380093
CID 130345281
CID 130345281
3-(8-hydroxyquinolin-5-yl)-4-methoxybenzaldehyde
CID 39225240
3-[5-[(E)-2-[2-[4-[(E)-2-[3-(5-formyl-2-hydroxy-3-methoxyphenyl)-4-hydroxy-5-methoxyphenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-2-hydroxy-3-methoxyphenyl]-4-hydroxy-5-methoxybenzaldehyde
CID 135670472
3-hydroxy-4-methoxybenzaldehyde
CID 87256894
3,4-dimethoxybenzaldehyde;4-hydroxy-3-methoxybenzaldehyde
CID 174683420
2-(2,5-dichlorophenyl)-4-methoxypyridine
CID 118819379
2-hydroxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzaldehyde
CID 15189859

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(4-methoxy-2-pyridinyl)benzaldehyde?
The IUPAC name of 4-hydroxy-3-(4-methoxy-2-pyridinyl)benzaldehyde (CID 136954896) is 4-hydroxy-3-(4-methoxy-2-pyridinyl)benzaldehyde.
What is the SMILES notation for 4-hydroxy-3-(4-methoxy-2-pyridinyl)benzaldehyde?
The canonical SMILES for 4-hydroxy-3-(4-methoxy-2-pyridinyl)benzaldehyde is COc1ccnc(-c2cc(C=O)ccc2O)c1.
What is the InChIKey of 4-hydroxy-3-(4-methoxy-2-pyridinyl)benzaldehyde?
The InChIKey is WKSRZNZUMDPUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c1-17-10-4-5-14-12(7-10)11-6-9(8-15)2-3-13(11)16/h2-8,16H,1H3.
What are the key properties of 4-hydroxy-3-(4-methoxy-2-pyridinyl)benzaldehyde?
4-hydroxy-3-(4-methoxy-2-pyridinyl)benzaldehyde has a molecular weight of 229.24 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(4-methoxy-2-pyridinyl)benzaldehyde is sourced from PubChem (CID 136954896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).