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

C6H4BrNO2 — CID 70168455

IUPAC7-bromo-[1,3]dioxolo[4,5-b]pyridine
SMILESBrc1ccnc2c1OCO2
InChIInChI=1S/C6H4BrNO2/c7-4-1-2-8-6-5(4)9-3-10-6/h1-2H,3H2
InChIKeyVITHYEBBFYQSIT-UHFFFAOYSA-N
MW202.01 g/mol
LogP1.57
Rot. Bonds

About 7-bromo-[1,3]dioxolo[4,5-b]pyridine

7-bromo-[1,3]dioxolo[4,5-b]pyridine (PubChem CID 70168455) has the molecular formula C6H4BrNO2 and a molecular weight of 202.01 g/mol. Its IUPAC name is 7-bromo-[1,3]dioxolo[4,5-b]pyridine.

Molecular Properties

Compound Name7-bromo-[1,3]dioxolo[4,5-b]pyridine
PubChem CID70168455
Molecular FormulaC6H4BrNO2
Molecular Weight202.01 g/mol
Exact Mass200.94
IUPAC Name7-bromo-[1,3]dioxolo[4,5-b]pyridine
SMILESBrc1ccnc2c1OCO2
InChIInChI=1S/C6H4BrNO2/c7-4-1-2-8-6-5(4)9-3-10-6/h1-2H,3H2
InChIKeyVITHYEBBFYQSIT-UHFFFAOYSA-N
XLogP1.57
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.01
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-[1,3]dioxolo[4,5-b]pyridine?
The IUPAC name of 7-bromo-[1,3]dioxolo[4,5-b]pyridine (CID 70168455) is 7-bromo-[1,3]dioxolo[4,5-b]pyridine.
What is the SMILES notation for 7-bromo-[1,3]dioxolo[4,5-b]pyridine?
The canonical SMILES for 7-bromo-[1,3]dioxolo[4,5-b]pyridine is Brc1ccnc2c1OCO2.
What is the InChIKey of 7-bromo-[1,3]dioxolo[4,5-b]pyridine?
The InChIKey is VITHYEBBFYQSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrNO2/c7-4-1-2-8-6-5(4)9-3-10-6/h1-2H,3H2.
What are the key properties of 7-bromo-[1,3]dioxolo[4,5-b]pyridine?
7-bromo-[1,3]dioxolo[4,5-b]pyridine has a molecular weight of 202.01 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-[1,3]dioxolo[4,5-b]pyridine is sourced from PubChem (CID 70168455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).