6-[4-(2-hydroxyethyl)phenoxy]-5-methylpyridine-3-carbaldehyde

C15H15NO3 — CID 107709147

IUPAC6-[4-(2-hydroxyethyl)phenoxy]-5-methylpyridine-3-carbaldehyde
SMILESCc1cc(C=O)cnc1Oc1ccc(CCO)cc1
InChIInChI=1S/C15H15NO3/c1-11-8-13(10-18)9-16-15(11)19-14-4-2-12(3-5-14)6-7-17/h2-5,8-10,17H,6-7H2,1H3
InChIKeyRPAFIARXRBKUFO-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.53
Rot. Bonds5

About 6-[4-(2-hydroxyethyl)phenoxy]-5-methylpyridine-3-carbaldehyde

6-[4-(2-hydroxyethyl)phenoxy]-5-methylpyridine-3-carbaldehyde (PubChem CID 107709147) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 6-[4-(2-hydroxyethyl)phenoxy]-5-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[4-(2-hydroxyethyl)phenoxy]-5-methylpyridine-3-carbaldehyde
PubChem CID107709147
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name6-[4-(2-hydroxyethyl)phenoxy]-5-methylpyridine-3-carbaldehyde
SMILESCc1cc(C=O)cnc1Oc1ccc(CCO)cc1
InChIInChI=1S/C15H15NO3/c1-11-8-13(10-18)9-16-15(11)19-14-4-2-12(3-5-14)6-7-17/h2-5,8-10,17H,6-7H2,1H3
InChIKeyRPAFIARXRBKUFO-UHFFFAOYSA-N
XLogP2.53
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.53
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

2-[4-[(5-bromo-3-methyl-2-pyridinyl)oxy]phenyl]ethanol
CID 107709601
6-[3-(hydroxymethyl)phenoxy]-5-methylpyridine-3-carbaldehyde
CID 80631507
methyl 4-[(5-formyl-3-methyl-2-pyridinyl)oxy]benzoate
CID 58835150
5-methyl-6-(4-nitrophenoxy)pyridine-3-carbaldehyde
CID 80631386
6-(3,5-difluorophenoxy)-5-methylpyridine-3-carbaldehyde
CID 80631634
6-(4-chloro-3-fluorophenoxy)-5-methylpyridine-3-carbaldehyde
CID 82716271
5-methyl-6-(2-phenoxyethoxy)pyridine-3-carbaldehyde
CID 80631732
6-(2-bromo-4-methylphenoxy)-5-methylpyridine-3-carbaldehyde
CID 80631978
2-[4-(2-hydroxyethyl)phenoxy]-4,6-dimethylpyridine-3-carbothioamide
CID 107708866
5-methyl-6-propan-2-yloxypyridine-3-carbaldehyde
CID 55297707
5-methyl-6-prop-2-enoxypyridine-3-carbaldehyde
CID 80631853
5-(bromomethyl)-3-methyl-2-(4-propylphenoxy)pyridine
CID 107088381

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-hydroxyethyl)phenoxy]-5-methylpyridine-3-carbaldehyde?
The IUPAC name of 6-[4-(2-hydroxyethyl)phenoxy]-5-methylpyridine-3-carbaldehyde (CID 107709147) is 6-[4-(2-hydroxyethyl)phenoxy]-5-methylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-[4-(2-hydroxyethyl)phenoxy]-5-methylpyridine-3-carbaldehyde?
The canonical SMILES for 6-[4-(2-hydroxyethyl)phenoxy]-5-methylpyridine-3-carbaldehyde is Cc1cc(C=O)cnc1Oc1ccc(CCO)cc1.
What is the InChIKey of 6-[4-(2-hydroxyethyl)phenoxy]-5-methylpyridine-3-carbaldehyde?
The InChIKey is RPAFIARXRBKUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-11-8-13(10-18)9-16-15(11)19-14-4-2-12(3-5-14)6-7-17/h2-5,8-10,17H,6-7H2,1H3.
What are the key properties of 6-[4-(2-hydroxyethyl)phenoxy]-5-methylpyridine-3-carbaldehyde?
6-[4-(2-hydroxyethyl)phenoxy]-5-methylpyridine-3-carbaldehyde has a molecular weight of 257.29 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-hydroxyethyl)phenoxy]-5-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 107709147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).