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

C9H7BrN2O2 — CID 53412940

IUPAC5-bromo-4-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
SMILESCc1c(Br)cnc2[nH]cc(C(=O)O)c12
InChIInChI=1S/C9H7BrN2O2/c1-4-6(10)3-12-8-7(4)5(2-11-8)9(13)14/h2-3H,1H3,(H,11,12)(H,13,14)
InChIKeyUVJAFTKUNRILOE-UHFFFAOYSA-N
MW255.07 g/mol
LogP2.33
Rot. Bonds1

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

5-bromo-4-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid (PubChem CID 53412940) has the molecular formula C9H7BrN2O2 and a molecular weight of 255.07 g/mol. Its IUPAC name is 5-bromo-4-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
PubChem CID53412940
Molecular FormulaC9H7BrN2O2
Molecular Weight255.07 g/mol
Exact Mass253.97
IUPAC Name5-bromo-4-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
SMILESCc1c(Br)cnc2[nH]cc(C(=O)O)c12
InChIInChI=1S/C9H7BrN2O2/c1-4-6(10)3-12-8-7(4)5(2-11-8)9(13)14/h2-3H,1H3,(H,11,12)(H,13,14)
InChIKeyUVJAFTKUNRILOE-UHFFFAOYSA-N
XLogP2.33
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-4-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid (CID 53412940) is 5-bromo-4-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-4-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-4-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid is Cc1c(Br)cnc2[nH]cc(C(=O)O)c12.
What is the InChIKey of 5-bromo-4-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?
The InChIKey is UVJAFTKUNRILOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O2/c1-4-6(10)3-12-8-7(4)5(2-11-8)9(13)14/h2-3H,1H3,(H,11,12)(H,13,14).
What are the key properties of 5-bromo-4-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?
5-bromo-4-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid has a molecular weight of 255.07 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 53412940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).