6H-pyrrolo[3,4-b]pyridine-2-carboxylic acid;hydrobromide

C8H7BrN2O2 — CID 162322622

IUPAC6H-pyrrolo[3,4-b]pyridine-2-carboxylic acid;hydrobromide
SMILESBr.O=C(O)c1ccc2c[nH]cc2n1
InChIInChI=1S/C8H6N2O2.BrH/c11-8(12)6-2-1-5-3-9-4-7(5)10-6;/h1-4,9H,(H,11,12);1H
InChIKeyKFOYBVYUDQIFLD-UHFFFAOYSA-N
MW243.06 g/mol
LogP1.84
Rot. Bonds1

About 6H-pyrrolo[3,4-b]pyridine-2-carboxylic acid;hydrobromide

6H-pyrrolo[3,4-b]pyridine-2-carboxylic acid;hydrobromide (PubChem CID 162322622) has the molecular formula C8H7BrN2O2 and a molecular weight of 243.06 g/mol. Its IUPAC name is 6H-pyrrolo[3,4-b]pyridine-2-carboxylic acid;hydrobromide.

Molecular Properties

Compound Name6H-pyrrolo[3,4-b]pyridine-2-carboxylic acid;hydrobromide
PubChem CID162322622
Molecular FormulaC8H7BrN2O2
Molecular Weight243.06 g/mol
Exact Mass241.97
IUPAC Name6H-pyrrolo[3,4-b]pyridine-2-carboxylic acid;hydrobromide
SMILESBr.O=C(O)c1ccc2c[nH]cc2n1
InChIInChI=1S/C8H6N2O2.BrH/c11-8(12)6-2-1-5-3-9-4-7(5)10-6;/h1-4,9H,(H,11,12);1H
InChIKeyKFOYBVYUDQIFLD-UHFFFAOYSA-N
XLogP1.84
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.06
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6H-pyrrolo[3,4-b]pyridine-2-carboxylic acid;hydrobromide?
The IUPAC name of 6H-pyrrolo[3,4-b]pyridine-2-carboxylic acid;hydrobromide (CID 162322622) is 6H-pyrrolo[3,4-b]pyridine-2-carboxylic acid;hydrobromide.
What is the SMILES notation for 6H-pyrrolo[3,4-b]pyridine-2-carboxylic acid;hydrobromide?
The canonical SMILES for 6H-pyrrolo[3,4-b]pyridine-2-carboxylic acid;hydrobromide is Br.O=C(O)c1ccc2c[nH]cc2n1.
What is the InChIKey of 6H-pyrrolo[3,4-b]pyridine-2-carboxylic acid;hydrobromide?
The InChIKey is KFOYBVYUDQIFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2.BrH/c11-8(12)6-2-1-5-3-9-4-7(5)10-6;/h1-4,9H,(H,11,12);1H.
What are the key properties of 6H-pyrrolo[3,4-b]pyridine-2-carboxylic acid;hydrobromide?
6H-pyrrolo[3,4-b]pyridine-2-carboxylic acid;hydrobromide has a molecular weight of 243.06 g/mol, XLogP of 1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-pyrrolo[3,4-b]pyridine-2-carboxylic acid;hydrobromide is sourced from PubChem (CID 162322622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).