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

C9H8FN3O2 — CID 122442905

IUPAC4-fluoro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCc1nn(C)c2ncc(C(=O)O)c(F)c12
InChIInChI=1S/C9H8FN3O2/c1-4-6-7(10)5(9(14)15)3-11-8(6)13(2)12-4/h3H,1-2H3,(H,14,15)
InChIKeyRZBDAZBUPUCKOV-UHFFFAOYSA-N
MW209.18 g/mol
LogP1.11
Rot. Bonds1

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

4-fluoro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid (PubChem CID 122442905) has the molecular formula C9H8FN3O2 and a molecular weight of 209.18 g/mol. Its IUPAC name is 4-fluoro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
PubChem CID122442905
Molecular FormulaC9H8FN3O2
Molecular Weight209.18 g/mol
Exact Mass209.06
IUPAC Name4-fluoro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCc1nn(C)c2ncc(C(=O)O)c(F)c12
InChIInChI=1S/C9H8FN3O2/c1-4-6-7(10)5(9(14)15)3-11-8(6)13(2)12-4/h3H,1-2H3,(H,14,15)
InChIKeyRZBDAZBUPUCKOV-UHFFFAOYSA-N
XLogP1.11
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Etazolate
CID 3277
Etazolate Hydrochloride
CID 37274
Tracazolate
CID 5522
Ridine-5-carboxylic acid ethyl ester
CID 14590509
1-cyclopentyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 16774180
1-Ethyl-4-(N''-isopropylidene-hydrazino)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester
CID 53694473
methyl 4-methoxy-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
CID 2736871
Prop-2-ynyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 9972017
Prop-2-enyl 4-amino-6-methyl-1-pent-4-enylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 9994975
Ethyl 4-amino-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 10016303
Cyclopropylmethyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 10064358
Ethyl 4-amino-1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 10083347

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 4-fluoro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid (CID 122442905) is 4-fluoro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 4-fluoro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 4-fluoro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid is Cc1nn(C)c2ncc(C(=O)O)c(F)c12.
What is the InChIKey of 4-fluoro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The InChIKey is RZBDAZBUPUCKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O2/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-fluoro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
4-fluoro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid has a molecular weight of 209.18 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 122442905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).