6-bromo-2-methylindazole-5-carboxylic acid

C9H7BrN2O2 — CID 117110187

IUPAC6-bromo-2-methylindazole-5-carboxylic acid
SMILESCn1cc2cc(C(=O)O)c(Br)cc2n1
InChIInChI=1S/C9H7BrN2O2/c1-12-4-5-2-6(9(13)14)7(10)3-8(5)11-12/h2-4H,1H3,(H,13,14)
InChIKeyLECFYDURJOIENG-UHFFFAOYSA-N
MW255.07 g/mol
LogP2.03
Rot. Bonds1

About 6-bromo-2-methylindazole-5-carboxylic acid

6-bromo-2-methylindazole-5-carboxylic acid (PubChem CID 117110187) has the molecular formula C9H7BrN2O2 and a molecular weight of 255.07 g/mol. Its IUPAC name is 6-bromo-2-methylindazole-5-carboxylic acid.

Molecular Properties

Compound Name6-bromo-2-methylindazole-5-carboxylic acid
PubChem CID117110187
Molecular FormulaC9H7BrN2O2
Molecular Weight255.07 g/mol
Exact Mass253.97
IUPAC Name6-bromo-2-methylindazole-5-carboxylic acid
SMILESCn1cc2cc(C(=O)O)c(Br)cc2n1
InChIInChI=1S/C9H7BrN2O2/c1-12-4-5-2-6(9(13)14)7(10)3-8(5)11-12/h2-4H,1H3,(H,13,14)
InChIKeyLECFYDURJOIENG-UHFFFAOYSA-N
XLogP2.03
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dimethylpyrazole-4-carboxylic acid;ethane
CID 142969611
2,7-dimethylindazole-6-carboxylic acid
CID 117110179
7-fluoro-2-methylindazole-6-carboxylic acid
CID 105447800
3-carbamoyl-1-methylpyrazole-4-carboxylic acid
CID 19623313
3-formyl-1-methylpyrazole-4-carboxylic acid
CID 57445628
6-chloro-2,5-dimethylindazole
CID 171662405
3-[(1,3-dimethylpyrazole-4-carbonyl)amino]naphthalene-2-carboxylic acid
CID 75513355
4-bromo-3-fluoro-N'-(6-fluoro-2-methylindazol-5-yl)benzenecarboximidamide
CID 118626617
(5-amino-2-methylindazol-6-yl)methanol
CID 176566592
5-chloro-2-methylindazole-6-carbaldehyde
CID 117110225
(2,5-dimethylindazol-6-yl)methanol;ethane
CID 176566676
5-fluoro-2-methylindazol-6-amine
CID 117110292

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methylindazole-5-carboxylic acid?
The IUPAC name of 6-bromo-2-methylindazole-5-carboxylic acid (CID 117110187) is 6-bromo-2-methylindazole-5-carboxylic acid.
What is the SMILES notation for 6-bromo-2-methylindazole-5-carboxylic acid?
The canonical SMILES for 6-bromo-2-methylindazole-5-carboxylic acid is Cn1cc2cc(C(=O)O)c(Br)cc2n1.
What is the InChIKey of 6-bromo-2-methylindazole-5-carboxylic acid?
The InChIKey is LECFYDURJOIENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O2/c1-12-4-5-2-6(9(13)14)7(10)3-8(5)11-12/h2-4H,1H3,(H,13,14).
What are the key properties of 6-bromo-2-methylindazole-5-carboxylic acid?
6-bromo-2-methylindazole-5-carboxylic acid has a molecular weight of 255.07 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methylindazole-5-carboxylic acid is sourced from PubChem (CID 117110187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).