3-(ethylperoxymethyl)-1H-pyrrolo[2,3-c]pyridin-2-amine

C10H13N3O2 — CID 89209684

IUPAC3-(ethylperoxymethyl)-1H-pyrrolo[2,3-c]pyridin-2-amine
SMILESCCOOCc1c(N)[nH]c2cnccc12
InChIInChI=1S/C10H13N3O2/c1-2-14-15-6-8-7-3-4-12-5-9(7)13-10(8)11/h3-5,13H,2,6,11H2,1H3
InChIKeyQELMAZOMMXLCMI-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.61
Rot. Bonds4

About 3-(ethylperoxymethyl)-1H-pyrrolo[2,3-c]pyridin-2-amine

3-(ethylperoxymethyl)-1H-pyrrolo[2,3-c]pyridin-2-amine (PubChem CID 89209684) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-(ethylperoxymethyl)-1H-pyrrolo[2,3-c]pyridin-2-amine.

Molecular Properties

Compound Name3-(ethylperoxymethyl)-1H-pyrrolo[2,3-c]pyridin-2-amine
PubChem CID89209684
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name3-(ethylperoxymethyl)-1H-pyrrolo[2,3-c]pyridin-2-amine
SMILESCCOOCc1c(N)[nH]c2cnccc12
InChIInChI=1S/C10H13N3O2/c1-2-14-15-6-8-7-3-4-12-5-9(7)13-10(8)11/h3-5,13H,2,6,11H2,1H3
InChIKeyQELMAZOMMXLCMI-UHFFFAOYSA-N
XLogP1.61
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylperoxymethyl)-1H-pyrrolo[2,3-c]pyridin-2-amine?
The IUPAC name of 3-(ethylperoxymethyl)-1H-pyrrolo[2,3-c]pyridin-2-amine (CID 89209684) is 3-(ethylperoxymethyl)-1H-pyrrolo[2,3-c]pyridin-2-amine.
What is the SMILES notation for 3-(ethylperoxymethyl)-1H-pyrrolo[2,3-c]pyridin-2-amine?
The canonical SMILES for 3-(ethylperoxymethyl)-1H-pyrrolo[2,3-c]pyridin-2-amine is CCOOCc1c(N)[nH]c2cnccc12.
What is the InChIKey of 3-(ethylperoxymethyl)-1H-pyrrolo[2,3-c]pyridin-2-amine?
The InChIKey is QELMAZOMMXLCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-2-14-15-6-8-7-3-4-12-5-9(7)13-10(8)11/h3-5,13H,2,6,11H2,1H3.
What are the key properties of 3-(ethylperoxymethyl)-1H-pyrrolo[2,3-c]pyridin-2-amine?
3-(ethylperoxymethyl)-1H-pyrrolo[2,3-c]pyridin-2-amine has a molecular weight of 207.23 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylperoxymethyl)-1H-pyrrolo[2,3-c]pyridin-2-amine is sourced from PubChem (CID 89209684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).