6-chloro-[1,3]dioxolo[4,5-b]pyridine-7-carboxylic acid

C7H4ClNO4 — CID 68548738

IUPAC6-chloro-[1,3]dioxolo[4,5-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1c(Cl)cnc2c1OCO2
InChIInChI=1S/C7H4ClNO4/c8-3-1-9-6-5(12-2-13-6)4(3)7(10)11/h1H,2H2,(H,10,11)
InChIKeyFTRRYZYVWJFDJX-UHFFFAOYSA-N
MW201.56 g/mol
LogP1.16
Rot. Bonds1

About 6-chloro-[1,3]dioxolo[4,5-b]pyridine-7-carboxylic acid

6-chloro-[1,3]dioxolo[4,5-b]pyridine-7-carboxylic acid (PubChem CID 68548738) has the molecular formula C7H4ClNO4 and a molecular weight of 201.56 g/mol. Its IUPAC name is 6-chloro-[1,3]dioxolo[4,5-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name6-chloro-[1,3]dioxolo[4,5-b]pyridine-7-carboxylic acid
PubChem CID68548738
Molecular FormulaC7H4ClNO4
Molecular Weight201.56 g/mol
Exact Mass200.98
IUPAC Name6-chloro-[1,3]dioxolo[4,5-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1c(Cl)cnc2c1OCO2
InChIInChI=1S/C7H4ClNO4/c8-3-1-9-6-5(12-2-13-6)4(3)7(10)11/h1H,2H2,(H,10,11)
InChIKeyFTRRYZYVWJFDJX-UHFFFAOYSA-N
XLogP1.16
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.56
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-[1,3]dioxolo[4,5-b]pyridine-7-carboxylic acid?
The IUPAC name of 6-chloro-[1,3]dioxolo[4,5-b]pyridine-7-carboxylic acid (CID 68548738) is 6-chloro-[1,3]dioxolo[4,5-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 6-chloro-[1,3]dioxolo[4,5-b]pyridine-7-carboxylic acid?
The canonical SMILES for 6-chloro-[1,3]dioxolo[4,5-b]pyridine-7-carboxylic acid is O=C(O)c1c(Cl)cnc2c1OCO2.
What is the InChIKey of 6-chloro-[1,3]dioxolo[4,5-b]pyridine-7-carboxylic acid?
The InChIKey is FTRRYZYVWJFDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClNO4/c8-3-1-9-6-5(12-2-13-6)4(3)7(10)11/h1H,2H2,(H,10,11).
What are the key properties of 6-chloro-[1,3]dioxolo[4,5-b]pyridine-7-carboxylic acid?
6-chloro-[1,3]dioxolo[4,5-b]pyridine-7-carboxylic acid has a molecular weight of 201.56 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-[1,3]dioxolo[4,5-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 68548738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).