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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Related Compounds

4-bromo-7-methyl-1H-indole-3-carboxylic acid
CID 130048536
5-bromo-4-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid
CID 90741420
4-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 53412885
4-amino-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
CID 83877917
5-bromo-3-(2-methoxyphenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridine
CID 91507947
2-prop-1-en-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 89453189
6-bromo-4,5-dimethyl-1H-1,8-naphthyridin-2-one
CID 54763752
7-bromo-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
CID 53413147
(3-bromo-2-methylphenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 115512724
4-bromo-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 59506850
5-nitroso-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 88533301
2-amino-5-bromo-4-methylpyridine-3-carboxylic acid;hydrobromide
CID 57358282

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).