6-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxylic acid

C9H7F2N3O2 — CID 119056316

IUPAC6-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxylic acid
SMILESCn1nc(C(=O)O)c2ccc(C(F)F)nc21
InChIInChI=1S/C9H7F2N3O2/c1-14-8-4(6(13-14)9(15)16)2-3-5(12-8)7(10)11/h2-3,7H,1H3,(H,15,16)
InChIKeyIHFCYTHENFRONG-UHFFFAOYSA-N
MW227.17 g/mol
LogP1.60
Rot. Bonds2

About 6-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxylic acid

6-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxylic acid (PubChem CID 119056316) has the molecular formula C9H7F2N3O2 and a molecular weight of 227.17 g/mol. Its IUPAC name is 6-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxylic acid
PubChem CID119056316
Molecular FormulaC9H7F2N3O2
Molecular Weight227.17 g/mol
Exact Mass227.05
IUPAC Name6-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxylic acid
SMILESCn1nc(C(=O)O)c2ccc(C(F)F)nc21
InChIInChI=1S/C9H7F2N3O2/c1-14-8-4(6(13-14)9(15)16)2-3-5(12-8)7(10)11/h2-3,7H,1H3,(H,15,16)
InChIKeyIHFCYTHENFRONG-UHFFFAOYSA-N
XLogP1.60
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.17
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxylic acid?
The IUPAC name of 6-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxylic acid (CID 119056316) is 6-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxylic acid?
The canonical SMILES for 6-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxylic acid is Cn1nc(C(=O)O)c2ccc(C(F)F)nc21.
What is the InChIKey of 6-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxylic acid?
The InChIKey is IHFCYTHENFRONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N3O2/c1-14-8-4(6(13-14)9(15)16)2-3-5(12-8)7(10)11/h2-3,7H,1H3,(H,15,16).
What are the key properties of 6-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxylic acid?
6-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxylic acid has a molecular weight of 227.17 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 119056316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).