2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-5-carbaldehyde

C11H13NO3 — CID 15619946

IUPAC2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-5-carbaldehyde
SMILESCc1ncc(C=O)c2c1OC(C)(C)OC2
InChIInChI=1S/C11H13NO3/c1-7-10-9(8(5-13)4-12-7)6-14-11(2,3)15-10/h4-5H,6H2,1-3H3
InChIKeyPECKJUIKFHWAGE-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.85
Rot. Bonds1

About 2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-5-carbaldehyde

2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-5-carbaldehyde (PubChem CID 15619946) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-5-carbaldehyde
PubChem CID15619946
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-5-carbaldehyde
SMILESCc1ncc(C=O)c2c1OC(C)(C)OC2
InChIInChI=1S/C11H13NO3/c1-7-10-9(8(5-13)4-12-7)6-14-11(2,3)15-10/h4-5H,6H2,1-3H3
InChIKeyPECKJUIKFHWAGE-UHFFFAOYSA-N
XLogP1.85
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.85
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 2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-5-carbaldehyde?
The IUPAC name of 2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-5-carbaldehyde (CID 15619946) is 2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-5-carbaldehyde.
What is the SMILES notation for 2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-5-carbaldehyde?
The canonical SMILES for 2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-5-carbaldehyde is Cc1ncc(C=O)c2c1OC(C)(C)OC2.
What is the InChIKey of 2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-5-carbaldehyde?
The InChIKey is PECKJUIKFHWAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-7-10-9(8(5-13)4-12-7)6-14-11(2,3)15-10/h4-5H,6H2,1-3H3.
What are the key properties of 2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-5-carbaldehyde?
2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-5-carbaldehyde has a molecular weight of 207.23 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-5-carbaldehyde is sourced from PubChem (CID 15619946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).