1-methyl-5-(trifluoromethyl)pyrazolo[4,5-b]pyridine-6-carboxylic acid

C9H6F3N3O2 — CID 138007998

IUPAC1-methyl-5-(trifluoromethyl)pyrazolo[4,5-b]pyridine-6-carboxylic acid
SMILESCn1ncc2nc(C(F)(F)F)c(C(=O)O)cc21
InChIInChI=1S/C9H6F3N3O2/c1-15-6-2-4(8(16)17)7(9(10,11)12)14-5(6)3-13-15/h2-3H,1H3,(H,16,17)
InChIKeyGHCPQVCFUMHRHC-UHFFFAOYSA-N
MW245.16 g/mol
LogP1.69
Rot. Bonds1

About 1-methyl-5-(trifluoromethyl)pyrazolo[4,5-b]pyridine-6-carboxylic acid

1-methyl-5-(trifluoromethyl)pyrazolo[4,5-b]pyridine-6-carboxylic acid (PubChem CID 138007998) has the molecular formula C9H6F3N3O2 and a molecular weight of 245.16 g/mol. Its IUPAC name is 1-methyl-5-(trifluoromethyl)pyrazolo[4,5-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-(trifluoromethyl)pyrazolo[4,5-b]pyridine-6-carboxylic acid
PubChem CID138007998
Molecular FormulaC9H6F3N3O2
Molecular Weight245.16 g/mol
Exact Mass245.04
IUPAC Name1-methyl-5-(trifluoromethyl)pyrazolo[4,5-b]pyridine-6-carboxylic acid
SMILESCn1ncc2nc(C(F)(F)F)c(C(=O)O)cc21
InChIInChI=1S/C9H6F3N3O2/c1-15-6-2-4(8(16)17)7(9(10,11)12)14-5(6)3-13-15/h2-3H,1H3,(H,16,17)
InChIKeyGHCPQVCFUMHRHC-UHFFFAOYSA-N
XLogP1.69
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.16
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(trifluoromethyl)pyrazolo[4,5-b]pyridine-6-carboxylic acid?
The IUPAC name of 1-methyl-5-(trifluoromethyl)pyrazolo[4,5-b]pyridine-6-carboxylic acid (CID 138007998) is 1-methyl-5-(trifluoromethyl)pyrazolo[4,5-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 1-methyl-5-(trifluoromethyl)pyrazolo[4,5-b]pyridine-6-carboxylic acid?
The canonical SMILES for 1-methyl-5-(trifluoromethyl)pyrazolo[4,5-b]pyridine-6-carboxylic acid is Cn1ncc2nc(C(F)(F)F)c(C(=O)O)cc21.
What is the InChIKey of 1-methyl-5-(trifluoromethyl)pyrazolo[4,5-b]pyridine-6-carboxylic acid?
The InChIKey is GHCPQVCFUMHRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O2/c1-15-6-2-4(8(16)17)7(9(10,11)12)14-5(6)3-13-15/h2-3H,1H3,(H,16,17).
What are the key properties of 1-methyl-5-(trifluoromethyl)pyrazolo[4,5-b]pyridine-6-carboxylic acid?
1-methyl-5-(trifluoromethyl)pyrazolo[4,5-b]pyridine-6-carboxylic acid has a molecular weight of 245.16 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(trifluoromethyl)pyrazolo[4,5-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 138007998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).