6-chloro-4-methyl-2H-pyrazolo[3,4-b]indole-1-carboxylic acid

C11H8ClN3O2 — CID 82279624

IUPAC6-chloro-4-methyl-2H-pyrazolo[3,4-b]indole-1-carboxylic acid
SMILESCn1c2cc(Cl)ccc2c2c(C(=O)O)[nH]nc21
InChIInChI=1S/C11H8ClN3O2/c1-15-7-4-5(12)2-3-6(7)8-9(11(16)17)13-14-10(8)15/h2-4H,1H3,(H,13,14)(H,16,17)
InChIKeyBHJHRNAIPNMPSL-UHFFFAOYSA-N
MW249.66 g/mol
LogP2.41
Rot. Bonds1

About 6-chloro-4-methyl-2H-pyrazolo[3,4-b]indole-1-carboxylic acid

6-chloro-4-methyl-2H-pyrazolo[3,4-b]indole-1-carboxylic acid (PubChem CID 82279624) has the molecular formula C11H8ClN3O2 and a molecular weight of 249.66 g/mol. Its IUPAC name is 6-chloro-4-methyl-2H-pyrazolo[3,4-b]indole-1-carboxylic acid.

Molecular Properties

Compound Name6-chloro-4-methyl-2H-pyrazolo[3,4-b]indole-1-carboxylic acid
PubChem CID82279624
Molecular FormulaC11H8ClN3O2
Molecular Weight249.66 g/mol
Exact Mass249.03
IUPAC Name6-chloro-4-methyl-2H-pyrazolo[3,4-b]indole-1-carboxylic acid
SMILESCn1c2cc(Cl)ccc2c2c(C(=O)O)[nH]nc21
InChIInChI=1S/C11H8ClN3O2/c1-15-7-4-5(12)2-3-6(7)8-9(11(16)17)13-14-10(8)15/h2-4H,1H3,(H,13,14)(H,16,17)
InChIKeyBHJHRNAIPNMPSL-UHFFFAOYSA-N
XLogP2.41
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.66
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(6-chloro-1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid
CID 115108943
4-bromo-7-chloro-9-methyl-2-phenylpyrimido[4,5-b]indole
CID 87312038
7-fluoro-4-methyl-2H-indazole-3-carboxylic acid
CID 130048589
6-chloro-1-methylbenzimidazole-2-carboxylic acid
CID 83868060
(7-chloro-9-methyl-2-phenylpyrimido[4,5-b]indol-4-yl) ethyl carbonate
CID 67213272
6-chloro-4-methylfuro[3,2-b]indole-2-carbonyl chloride
CID 13405828
2,6-dichloro-1,3-dimethylindole
CID 117127818
N-(8-chloro-6-methyl-5-oxobenzo[c][2,7]naphthyridin-2-yl)acetamide
CID 86710349
3-(6-chloro-1,2-dimethylindol-3-yl)-3-methylbutanoic acid
CID 84642675
3-(7-chloro-1,2-dimethyl-4-oxoquinolin-3-yl)propanoic acid
CID 82248917
5-(6-chloro-1-methylindol-3-yl)-1H-pyrrole-2-carboxylic acid
CID 115110303
(2S)-2-(6-chloro-9-methylcarbazol-2-yl)propanoic acid
CID 124518181

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-methyl-2H-pyrazolo[3,4-b]indole-1-carboxylic acid?
The IUPAC name of 6-chloro-4-methyl-2H-pyrazolo[3,4-b]indole-1-carboxylic acid (CID 82279624) is 6-chloro-4-methyl-2H-pyrazolo[3,4-b]indole-1-carboxylic acid.
What is the SMILES notation for 6-chloro-4-methyl-2H-pyrazolo[3,4-b]indole-1-carboxylic acid?
The canonical SMILES for 6-chloro-4-methyl-2H-pyrazolo[3,4-b]indole-1-carboxylic acid is Cn1c2cc(Cl)ccc2c2c(C(=O)O)[nH]nc21.
What is the InChIKey of 6-chloro-4-methyl-2H-pyrazolo[3,4-b]indole-1-carboxylic acid?
The InChIKey is BHJHRNAIPNMPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O2/c1-15-7-4-5(12)2-3-6(7)8-9(11(16)17)13-14-10(8)15/h2-4H,1H3,(H,13,14)(H,16,17).
What are the key properties of 6-chloro-4-methyl-2H-pyrazolo[3,4-b]indole-1-carboxylic acid?
6-chloro-4-methyl-2H-pyrazolo[3,4-b]indole-1-carboxylic acid has a molecular weight of 249.66 g/mol, XLogP of 2.41, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methyl-2H-pyrazolo[3,4-b]indole-1-carboxylic acid is sourced from PubChem (CID 82279624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).