[1,2]dioxino[4,3-c]pyridine

C7H5NO2 — CID 57348888

IUPAC[1,2]dioxino[4,3-c]pyridine
SMILESC1=Cc2cnccc2OO1
InChIInChI=1S/C7H5NO2/c1-3-8-5-6-2-4-9-10-7(1)6/h1-5H
InChIKeyNVVMDHPPJYKNCG-UHFFFAOYSA-N
MW135.12 g/mol
LogP1.38
Rot. Bonds

About [1,2]dioxino[4,3-c]pyridine

[1,2]dioxino[4,3-c]pyridine (PubChem CID 57348888) has the molecular formula C7H5NO2 and a molecular weight of 135.12 g/mol. Its IUPAC name is [1,2]dioxino[4,3-c]pyridine.

Molecular Properties

Compound Name[1,2]dioxino[4,3-c]pyridine
PubChem CID57348888
Molecular FormulaC7H5NO2
Molecular Weight135.12 g/mol
Exact Mass135.03
IUPAC Name[1,2]dioxino[4,3-c]pyridine
SMILESC1=Cc2cnccc2OO1
InChIInChI=1S/C7H5NO2/c1-3-8-5-6-2-4-9-10-7(1)6/h1-5H
InChIKeyNVVMDHPPJYKNCG-UHFFFAOYSA-N
XLogP1.38
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.12
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1,2]dioxino[4,3-c]pyridine?
The IUPAC name of [1,2]dioxino[4,3-c]pyridine (CID 57348888) is [1,2]dioxino[4,3-c]pyridine.
What is the SMILES notation for [1,2]dioxino[4,3-c]pyridine?
The canonical SMILES for [1,2]dioxino[4,3-c]pyridine is C1=Cc2cnccc2OO1.
What is the InChIKey of [1,2]dioxino[4,3-c]pyridine?
The InChIKey is NVVMDHPPJYKNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO2/c1-3-8-5-6-2-4-9-10-7(1)6/h1-5H.
What are the key properties of [1,2]dioxino[4,3-c]pyridine?
[1,2]dioxino[4,3-c]pyridine has a molecular weight of 135.12 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2]dioxino[4,3-c]pyridine is sourced from PubChem (CID 57348888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).