[1,3]dioxolo[4,5-b]pyridine

C6H5NO2 — CID 12563079

IUPAC[1,3]dioxolo[4,5-b]pyridine
SMILESc1cnc2c(c1)OCO2
InChIInChI=1S/C6H5NO2/c1-2-5-6(7-3-1)9-4-8-5/h1-3H,4H2
InChIKeyYIIOTOBXQVQGSV-UHFFFAOYSA-N
MW123.11 g/mol
LogP0.81
Rot. Bonds

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

[1,3]dioxolo[4,5-b]pyridine (PubChem CID 12563079) has the molecular formula C6H5NO2 and a molecular weight of 123.11 g/mol. Its IUPAC name is [1,3]dioxolo[4,5-b]pyridine.

Molecular Properties

Compound Name[1,3]dioxolo[4,5-b]pyridine
PubChem CID12563079
Molecular FormulaC6H5NO2
Molecular Weight123.11 g/mol
Exact Mass123.03
IUPAC Name[1,3]dioxolo[4,5-b]pyridine
SMILESc1cnc2c(c1)OCO2
InChIInChI=1S/C6H5NO2/c1-2-5-6(7-3-1)9-4-8-5/h1-3H,4H2
InChIKeyYIIOTOBXQVQGSV-UHFFFAOYSA-N
XLogP0.81
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.11
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;ethane
CID 91423085
1,3-benzodioxole;quinoline
CID 67983716
benzene;1,3-benzodioxole
CID 158998325
1,3-benzodioxole;hydrobromide
CID 172797493
[(2S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-2-yl]methanamine;dihydrochloride
CID 118991735
2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-ylmethanol;hydrochloride
CID 119032041
1,3-benzodioxole;ethene
CID 142820644
5,6-dihydro-[1]benzoxepino[2,3-b]pyridine
CID 145135614
5H-[1,5]benzodioxepino[4,3-b]pyridine;methanamine
CID 165410431
4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one
CID 72881646
ethane;5-methyl-[1,3]dioxolo[4,5-b]pyridine
CID 171654346
9-oxa-2-thia-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
CID 5323778

Frequently Asked Questions

What is the IUPAC name of [1,3]dioxolo[4,5-b]pyridine?
The IUPAC name of [1,3]dioxolo[4,5-b]pyridine (CID 12563079) is [1,3]dioxolo[4,5-b]pyridine.
What is the SMILES notation for [1,3]dioxolo[4,5-b]pyridine?
The canonical SMILES for [1,3]dioxolo[4,5-b]pyridine is c1cnc2c(c1)OCO2.
What is the InChIKey of [1,3]dioxolo[4,5-b]pyridine?
The InChIKey is YIIOTOBXQVQGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO2/c1-2-5-6(7-3-1)9-4-8-5/h1-3H,4H2.
What are the key properties of [1,3]dioxolo[4,5-b]pyridine?
[1,3]dioxolo[4,5-b]pyridine has a molecular weight of 123.11 g/mol, XLogP of 0.81, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3]dioxolo[4,5-b]pyridine is sourced from PubChem (CID 12563079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).