4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid

C9H8ClN3O2 — CID 614513

IUPAC4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCc1nn(C)c2ncc(C(=O)O)c(Cl)c12
InChIInChI=1S/C9H8ClN3O2/c1-4-6-7(10)5(9(14)15)3-11-8(6)13(2)12-4/h3H,1-2H3,(H,14,15)
InChIKeyLHEUUYZQYKWDSY-UHFFFAOYSA-N
MW225.63 g/mol
LogP1.63
Rot. Bonds1

About 4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid

4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid (PubChem CID 614513) has the molecular formula C9H8ClN3O2 and a molecular weight of 225.63 g/mol. Its IUPAC name is 4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
PubChem CID614513
Molecular FormulaC9H8ClN3O2
Molecular Weight225.63 g/mol
Exact Mass225.03
IUPAC Name4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCc1nn(C)c2ncc(C(=O)O)c(Cl)c12
InChIInChI=1S/C9H8ClN3O2/c1-4-6-7(10)5(9(14)15)3-11-8(6)13(2)12-4/h3H,1-2H3,(H,14,15)
InChIKeyLHEUUYZQYKWDSY-UHFFFAOYSA-N
XLogP1.63
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.63
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Chlorophenyl)-7-methylpyrazolo(1,5-a)pyrimidine-6-carboxylic acid
CID 5308312
1-cyclopentyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 16774180
ethyl 4-chloro-1-ethyl-3-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
CID 1473447
ethyl 4-chloro-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
CID 1480744
ethyl 4-chloro-1-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
CID 3803060
6-methyl-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 9167414
6-chloro-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 2325081
1-Cyclohexylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 16772750
4-(3-Chloroanilino)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 44561625
1-(4,4-Difluorocyclohexyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 168284087
ethyl 4-(cyclopropylamino)-1-ethyl-3-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
CID 1473448
Ethyl 4-(4-chloroanilino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 11405223

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid (CID 614513) is 4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid is Cc1nn(C)c2ncc(C(=O)O)c(Cl)c12.
What is the InChIKey of 4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The InChIKey is LHEUUYZQYKWDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O2/c1-4-6-7(10)5(9(14)15)3-11-8(6)13(2)12-4/h3H,1-2H3,(H,14,15).
What are the key properties of 4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid has a molecular weight of 225.63 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 614513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).