5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridine-3-carbaldehyde

C14H14N2O2 — CID 103175120

IUPAC5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridine-3-carbaldehyde
SMILESCCc1nc(C)ccc1Oc1cncc(C=O)c1
InChIInChI=1S/C14H14N2O2/c1-3-13-14(5-4-10(2)16-13)18-12-6-11(9-17)7-15-8-12/h4-9H,3H2,1-2H3
InChIKeyMHKDQZBHJAVGCL-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.95
Rot. Bonds4

About 5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridine-3-carbaldehyde

5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridine-3-carbaldehyde (PubChem CID 103175120) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridine-3-carbaldehyde
PubChem CID103175120
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridine-3-carbaldehyde
SMILESCCc1nc(C)ccc1Oc1cncc(C=O)c1
InChIInChI=1S/C14H14N2O2/c1-3-13-14(5-4-10(2)16-13)18-12-6-11(9-17)7-15-8-12/h4-9H,3H2,1-2H3
InChIKeyMHKDQZBHJAVGCL-UHFFFAOYSA-N
XLogP2.95
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.95
H-Bond Donors ≤ 50
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 5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridine-3-carbaldehyde?
The IUPAC name of 5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridine-3-carbaldehyde (CID 103175120) is 5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridine-3-carbaldehyde.
What is the SMILES notation for 5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridine-3-carbaldehyde?
The canonical SMILES for 5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridine-3-carbaldehyde is CCc1nc(C)ccc1Oc1cncc(C=O)c1.
What is the InChIKey of 5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridine-3-carbaldehyde?
The InChIKey is MHKDQZBHJAVGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-3-13-14(5-4-10(2)16-13)18-12-6-11(9-17)7-15-8-12/h4-9H,3H2,1-2H3.
What are the key properties of 5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridine-3-carbaldehyde?
5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridine-3-carbaldehyde has a molecular weight of 242.28 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridine-3-carbaldehyde is sourced from PubChem (CID 103175120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).