5-bromo-6-fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid

C8H4BrFN2O2 — CID 155892463

IUPAC5-bromo-6-fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2cc(Br)c(F)nc2[nH]1
InChIInChI=1S/C8H4BrFN2O2/c9-4-1-3-2-5(8(13)14)11-7(3)12-6(4)10/h1-2H,(H,11,12)(H,13,14)
InChIKeyATULUBCLFHOQHJ-UHFFFAOYSA-N
MW259.03 g/mol
LogP2.16
Rot. Bonds1

About 5-bromo-6-fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid

5-bromo-6-fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid (PubChem CID 155892463) has the molecular formula C8H4BrFN2O2 and a molecular weight of 259.03 g/mol. Its IUPAC name is 5-bromo-6-fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-6-fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
PubChem CID155892463
Molecular FormulaC8H4BrFN2O2
Molecular Weight259.03 g/mol
Exact Mass257.94
IUPAC Name5-bromo-6-fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2cc(Br)c(F)nc2[nH]1
InChIInChI=1S/C8H4BrFN2O2/c9-4-1-3-2-5(8(13)14)11-7(3)12-6(4)10/h1-2H,(H,11,12)(H,13,14)
InChIKeyATULUBCLFHOQHJ-UHFFFAOYSA-N
XLogP2.16
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.03
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-bromo-6-fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 50990519
6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 45073277
7H-pyrrolo[2,3-c]pyridazine-6-carboxylic acid
CID 82415210
7-bromo-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 133059860
5-ethoxycarbonyl-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 90039315
chloromethane;ethane;6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 156715308
molecular hydrogen;1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 156715490
5-fluoro-6-hydroxy-1H-indole-2-carboxylic acid
CID 141128884
4-bromo-6-fluoro-1H-indole-2-carboxylic acid
CID 83901550
5-fluoro-6-methyl-1H-indole-2-carboxylic acid
CID 22338224
7-chloro-5-fluoro-1H-indole-2-carboxylic acid
CID 59529914
7-fluoro-6-methyl-1H-indole-2-carboxylic acid
CID 22338205

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 5-bromo-6-fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid (CID 155892463) is 5-bromo-6-fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-bromo-6-fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 5-bromo-6-fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid is O=C(O)c1cc2cc(Br)c(F)nc2[nH]1.
What is the InChIKey of 5-bromo-6-fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is ATULUBCLFHOQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrFN2O2/c9-4-1-3-2-5(8(13)14)11-7(3)12-6(4)10/h1-2H,(H,11,12)(H,13,14).
What are the key properties of 5-bromo-6-fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
5-bromo-6-fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 259.03 g/mol, XLogP of 2.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 155892463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).