ethane;5-methyl-[1,3]dioxolo[4,5-b]pyridine

C9H13NO2 — CID 171654346

IUPACethane;5-methyl-[1,3]dioxolo[4,5-b]pyridine
SMILESCC.Cc1ccc2c(n1)OCO2
InChIInChI=1S/C7H7NO2.C2H6/c1-5-2-3-6-7(8-5)10-4-9-6;1-2/h2-3H,4H2,1H3;1-2H3
InChIKeyXDVJWMONZUKZEL-UHFFFAOYSA-N
MW167.21 g/mol
LogP2.14
Rot. Bonds

About ethane;5-methyl-[1,3]dioxolo[4,5-b]pyridine

ethane;5-methyl-[1,3]dioxolo[4,5-b]pyridine (PubChem CID 171654346) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is ethane;5-methyl-[1,3]dioxolo[4,5-b]pyridine.

Molecular Properties

Compound Nameethane;5-methyl-[1,3]dioxolo[4,5-b]pyridine
PubChem CID171654346
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Nameethane;5-methyl-[1,3]dioxolo[4,5-b]pyridine
SMILESCC.Cc1ccc2c(n1)OCO2
InChIInChI=1S/C7H7NO2.C2H6/c1-5-2-3-6-7(8-5)10-4-9-6;1-2/h2-3H,4H2,1H3;1-2H3
InChIKeyXDVJWMONZUKZEL-UHFFFAOYSA-N
XLogP2.14
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-[1,3]dioxolo[4,5-b]pyridine?
The IUPAC name of ethane;5-methyl-[1,3]dioxolo[4,5-b]pyridine (CID 171654346) is ethane;5-methyl-[1,3]dioxolo[4,5-b]pyridine.
What is the SMILES notation for ethane;5-methyl-[1,3]dioxolo[4,5-b]pyridine?
The canonical SMILES for ethane;5-methyl-[1,3]dioxolo[4,5-b]pyridine is CC.Cc1ccc2c(n1)OCO2.
What is the InChIKey of ethane;5-methyl-[1,3]dioxolo[4,5-b]pyridine?
The InChIKey is XDVJWMONZUKZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2.C2H6/c1-5-2-3-6-7(8-5)10-4-9-6;1-2/h2-3H,4H2,1H3;1-2H3.
What are the key properties of ethane;5-methyl-[1,3]dioxolo[4,5-b]pyridine?
ethane;5-methyl-[1,3]dioxolo[4,5-b]pyridine has a molecular weight of 167.21 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-[1,3]dioxolo[4,5-b]pyridine is sourced from PubChem (CID 171654346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).