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

C8H5BrN2O2 — CID 50990519

IUPAC5-bromo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2cc(Br)cnc2[nH]1
InChIInChI=1S/C8H5BrN2O2/c9-5-1-4-2-6(8(12)13)11-7(4)10-3-5/h1-3H,(H,10,11)(H,12,13)
InChIKeyWVRNTDOWZRUIKE-UHFFFAOYSA-N
MW241.04 g/mol
LogP2.02
Rot. Bonds1

About 5-bromo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid

5-bromo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid (PubChem CID 50990519) has the molecular formula C8H5BrN2O2 and a molecular weight of 241.04 g/mol. Its IUPAC name is 5-bromo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
PubChem CID50990519
Molecular FormulaC8H5BrN2O2
Molecular Weight241.04 g/mol
Exact Mass239.95
IUPAC Name5-bromo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2cc(Br)cnc2[nH]1
InChIInChI=1S/C8H5BrN2O2/c9-5-1-4-2-6(8(12)13)11-7(4)10-3-5/h1-3H,(H,10,11)(H,12,13)
InChIKeyWVRNTDOWZRUIKE-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 5-bromo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 5-bromo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid (CID 50990519) is 5-bromo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-bromo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 5-bromo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid is O=C(O)c1cc2cc(Br)cnc2[nH]1.
What is the InChIKey of 5-bromo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is WVRNTDOWZRUIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O2/c9-5-1-4-2-6(8(12)13)11-7(4)10-3-5/h1-3H,(H,10,11)(H,12,13).
What are the key properties of 5-bromo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
5-bromo-1H-pyrrolo[2,3-b]pyridine-2-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 5-bromo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 50990519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).