4-bromo-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid

C9H7BrN2O3 — CID 90351143

IUPAC4-bromo-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
SMILESCn1cc(Br)c2cc(C(=O)O)[nH]c2c1=O
InChIInChI=1S/C9H7BrN2O3/c1-12-3-5(10)4-2-6(9(14)15)11-7(4)8(12)13/h2-3,11H,1H3,(H,14,15)
InChIKeyLFRWMZSZWBHKDA-UHFFFAOYSA-N
MW271.07 g/mol
LogP1.33
Rot. Bonds1

About 4-bromo-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid

4-bromo-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid (PubChem CID 90351143) has the molecular formula C9H7BrN2O3 and a molecular weight of 271.07 g/mol. Its IUPAC name is 4-bromo-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-bromo-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
PubChem CID90351143
Molecular FormulaC9H7BrN2O3
Molecular Weight271.07 g/mol
Exact Mass269.96
IUPAC Name4-bromo-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
SMILESCn1cc(Br)c2cc(C(=O)O)[nH]c2c1=O
InChIInChI=1S/C9H7BrN2O3/c1-12-3-5(10)4-2-6(9(14)15)11-7(4)8(12)13/h2-3,11H,1H3,(H,14,15)
InChIKeyLFRWMZSZWBHKDA-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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid?
The IUPAC name of 4-bromo-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid (CID 90351143) is 4-bromo-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-bromo-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid?
The canonical SMILES for 4-bromo-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid is Cn1cc(Br)c2cc(C(=O)O)[nH]c2c1=O.
What is the InChIKey of 4-bromo-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid?
The InChIKey is LFRWMZSZWBHKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O3/c1-12-3-5(10)4-2-6(9(14)15)11-7(4)8(12)13/h2-3,11H,1H3,(H,14,15).
What are the key properties of 4-bromo-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid?
4-bromo-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-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 4-bromo-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 90351143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).