6-[2-(2-hydroxyethyl)phenoxy]pyridine-3-carbaldehyde

C14H13NO3 — CID 107712774

IUPAC6-[2-(2-hydroxyethyl)phenoxy]pyridine-3-carbaldehyde
SMILESO=Cc1ccc(Oc2ccccc2CCO)nc1
InChIInChI=1S/C14H13NO3/c16-8-7-12-3-1-2-4-13(12)18-14-6-5-11(10-17)9-15-14/h1-6,9-10,16H,7-8H2
InChIKeyRAFCXCMJVMTCEA-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.22
Rot. Bonds5

About 6-[2-(2-hydroxyethyl)phenoxy]pyridine-3-carbaldehyde

6-[2-(2-hydroxyethyl)phenoxy]pyridine-3-carbaldehyde (PubChem CID 107712774) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 6-[2-(2-hydroxyethyl)phenoxy]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[2-(2-hydroxyethyl)phenoxy]pyridine-3-carbaldehyde
PubChem CID107712774
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name6-[2-(2-hydroxyethyl)phenoxy]pyridine-3-carbaldehyde
SMILESO=Cc1ccc(Oc2ccccc2CCO)nc1
InChIInChI=1S/C14H13NO3/c16-8-7-12-3-1-2-4-13(12)18-14-6-5-11(10-17)9-15-14/h1-6,9-10,16H,7-8H2
InChIKeyRAFCXCMJVMTCEA-UHFFFAOYSA-N
XLogP2.22
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.22
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

6-(2-phenylphenoxy)pyridine-3-carbaldehyde
CID 80631698
2-[2-[5-(aminomethyl)pyrazin-2-yl]oxyphenyl]ethanol
CID 107711701
6-[2-(trifluoromethoxy)phenoxy]pyridine-3-carbaldehyde
CID 172879445
2-[2-[[5-[1-(methylamino)ethyl]-2-pyridinyl]oxy]phenyl]ethanol
CID 107712729
5-[2-(2-hydroxyethyl)phenoxy]pyrazine-2-carbothioamide
CID 107712486
6-(4-chloronaphthalen-1-yl)oxypyridine-3-carbaldehyde
CID 80632138
2-(2-pyrido[2,3-b]pyrazin-6-yloxyphenyl)ethanol
CID 107713779
6-[2-(hydroxymethyl)phenoxy]pyridine-3-carboxylic acid
CID 55245031
2-[2-[[4-(aminomethyl)-2-pyridinyl]oxy]phenyl]ethanol
CID 107711711
2-[2-(6-methylsulfanylpyrimidin-4-yl)oxyphenyl]ethanol
CID 107713792
6-phenylmethoxypyridine-3-carbaldehyde
CID 21102205
6-(4-phenylmethoxyphenoxy)pyridine-3-carbaldehyde
CID 172879447

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-hydroxyethyl)phenoxy]pyridine-3-carbaldehyde?
The IUPAC name of 6-[2-(2-hydroxyethyl)phenoxy]pyridine-3-carbaldehyde (CID 107712774) is 6-[2-(2-hydroxyethyl)phenoxy]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-[2-(2-hydroxyethyl)phenoxy]pyridine-3-carbaldehyde?
The canonical SMILES for 6-[2-(2-hydroxyethyl)phenoxy]pyridine-3-carbaldehyde is O=Cc1ccc(Oc2ccccc2CCO)nc1.
What is the InChIKey of 6-[2-(2-hydroxyethyl)phenoxy]pyridine-3-carbaldehyde?
The InChIKey is RAFCXCMJVMTCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c16-8-7-12-3-1-2-4-13(12)18-14-6-5-11(10-17)9-15-14/h1-6,9-10,16H,7-8H2.
What are the key properties of 6-[2-(2-hydroxyethyl)phenoxy]pyridine-3-carbaldehyde?
6-[2-(2-hydroxyethyl)phenoxy]pyridine-3-carbaldehyde has a molecular weight of 243.26 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-hydroxyethyl)phenoxy]pyridine-3-carbaldehyde is sourced from PubChem (CID 107712774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).