7-bromo-5-methyl-4-oxo-2H-pyrrolo[3,4-c]pyridine-1-carboxylic acid

C9H7BrN2O3 — CID 175166706

IUPAC7-bromo-5-methyl-4-oxo-2H-pyrrolo[3,4-c]pyridine-1-carboxylic acid
SMILESCn1cc(Br)c2c(C(=O)O)[nH]cc2c1=O
InChIInChI=1S/C9H7BrN2O3/c1-12-3-5(10)6-4(8(12)13)2-11-7(6)9(14)15/h2-3,11H,1H3,(H,14,15)
InChIKeyMHGOCYYHEVINOU-UHFFFAOYSA-N
MW271.07 g/mol
LogP1.33
Rot. Bonds1

About 7-bromo-5-methyl-4-oxo-2H-pyrrolo[3,4-c]pyridine-1-carboxylic acid

7-bromo-5-methyl-4-oxo-2H-pyrrolo[3,4-c]pyridine-1-carboxylic acid (PubChem CID 175166706) has the molecular formula C9H7BrN2O3 and a molecular weight of 271.07 g/mol. Its IUPAC name is 7-bromo-5-methyl-4-oxo-2H-pyrrolo[3,4-c]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name7-bromo-5-methyl-4-oxo-2H-pyrrolo[3,4-c]pyridine-1-carboxylic acid
PubChem CID175166706
Molecular FormulaC9H7BrN2O3
Molecular Weight271.07 g/mol
Exact Mass269.96
IUPAC Name7-bromo-5-methyl-4-oxo-2H-pyrrolo[3,4-c]pyridine-1-carboxylic acid
SMILESCn1cc(Br)c2c(C(=O)O)[nH]cc2c1=O
InChIInChI=1S/C9H7BrN2O3/c1-12-3-5(10)6-4(8(12)13)2-11-7(6)9(14)15/h2-3,11H,1H3,(H,14,15)
InChIKeyMHGOCYYHEVINOU-UHFFFAOYSA-N
XLogP1.33
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.07
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-bromo-5-methyl-4-oxo-2H-pyrrolo[3,4-c]pyridine-1-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

Makaluvic Acid A
CID 10726460
Makaluvic Acid C
CID 11401113
4-acetyl-3-methyl-1H-pyrrole-2-carboxylic acid
CID 82413947
3-methyl-1H-pyrrole-2,4-dicarboxylic acid
CID 443861
1H-Pyrrole-2,3,4-tricarboxylic acid
CID 71423390
4-carbamoyl-1H-pyrrole-2-carboxylic acid
CID 72125033
4-[2-(tert-butylamino)-2-oxoacetyl]-3-(fluoromethyl)-1H-pyrrole-2-carboxylic acid
CID 117834203
3-methyl-4-[2-oxo-2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]acetyl]-1H-pyrrole-2-carboxylic acid
CID 121409843
3-Ethyl-4-methyl-1H-pyrrole-2-carboxylic acid
CID 15357245
5-(aminocarbonyl)-4-methyl-1H-Pyrrole-3-carboxylic acid
CID 18179721
3-ethyl-1H-pyrrole-2,4-dicarboxylic acid
CID 21945775
3-propan-2-yl-1H-pyrrole-2,4-dicarboxylic acid
CID 22273660

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-methyl-4-oxo-2H-pyrrolo[3,4-c]pyridine-1-carboxylic acid?
The IUPAC name of 7-bromo-5-methyl-4-oxo-2H-pyrrolo[3,4-c]pyridine-1-carboxylic acid (CID 175166706) is 7-bromo-5-methyl-4-oxo-2H-pyrrolo[3,4-c]pyridine-1-carboxylic acid.
What is the SMILES notation for 7-bromo-5-methyl-4-oxo-2H-pyrrolo[3,4-c]pyridine-1-carboxylic acid?
The canonical SMILES for 7-bromo-5-methyl-4-oxo-2H-pyrrolo[3,4-c]pyridine-1-carboxylic acid is Cn1cc(Br)c2c(C(=O)O)[nH]cc2c1=O.
What is the InChIKey of 7-bromo-5-methyl-4-oxo-2H-pyrrolo[3,4-c]pyridine-1-carboxylic acid?
The InChIKey is MHGOCYYHEVINOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O3/c1-12-3-5(10)6-4(8(12)13)2-11-7(6)9(14)15/h2-3,11H,1H3,(H,14,15).
What are the key properties of 7-bromo-5-methyl-4-oxo-2H-pyrrolo[3,4-c]pyridine-1-carboxylic acid?
7-bromo-5-methyl-4-oxo-2H-pyrrolo[3,4-c]pyridine-1-carboxylic acid has a molecular weight of 271.07 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-methyl-4-oxo-2H-pyrrolo[3,4-c]pyridine-1-carboxylic acid is sourced from PubChem (CID 175166706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).