7-bromo-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid

C8H5BrN2O2 — CID 53413147

IUPAC7-bromo-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2c(Br)ccnc12
InChIInChI=1S/C8H5BrN2O2/c9-5-1-2-10-6-4(8(12)13)3-11-7(5)6/h1-3,11H,(H,12,13)
InChIKeyLOYFBRUQNGMLED-UHFFFAOYSA-N
MW241.04 g/mol
LogP2.02
Rot. Bonds1

About 7-bromo-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid

7-bromo-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid (PubChem CID 53413147) has the molecular formula C8H5BrN2O2 and a molecular weight of 241.04 g/mol. Its IUPAC name is 7-bromo-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-bromo-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
PubChem CID53413147
Molecular FormulaC8H5BrN2O2
Molecular Weight241.04 g/mol
Exact Mass239.95
IUPAC Name7-bromo-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2c(Br)ccnc12
InChIInChI=1S/C8H5BrN2O2/c9-5-1-2-10-6-4(8(12)13)3-11-7(5)6/h1-3,11H,(H,12,13)
InChIKeyLOYFBRUQNGMLED-UHFFFAOYSA-N
XLogP2.02
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.04
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid?
The IUPAC name of 7-bromo-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid (CID 53413147) is 7-bromo-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 7-bromo-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid?
The canonical SMILES for 7-bromo-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid is O=C(O)c1c[nH]c2c(Br)ccnc12.
What is the InChIKey of 7-bromo-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid?
The InChIKey is LOYFBRUQNGMLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O2/c9-5-1-2-10-6-4(8(12)13)3-11-7(5)6/h1-3,11H,(H,12,13).
What are the key properties of 7-bromo-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid?
7-bromo-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid has a molecular weight of 241.04 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 53413147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).