4-bromo-5-ethyl-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid

C12H10BrF3N2O3 — CID 67304162

IUPAC4-bromo-5-ethyl-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESCCc1cc(OC)n2nc(C(F)(F)F)c(C(=O)O)c2c1Br
InChIInChI=1S/C12H10BrF3N2O3/c1-3-5-4-6(21-2)18-9(8(5)13)7(11(19)20)10(17-18)12(14,15)16/h4H,3H2,1-2H3,(H,19,20)
InChIKeyMSKIMVUQMYWYNT-UHFFFAOYSA-N
MW367.12 g/mol
LogP3.38
Rot. Bonds3

About 4-bromo-5-ethyl-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid

4-bromo-5-ethyl-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 67304162) has the molecular formula C12H10BrF3N2O3 and a molecular weight of 367.12 g/mol. Its IUPAC name is 4-bromo-5-ethyl-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-bromo-5-ethyl-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid
PubChem CID67304162
Molecular FormulaC12H10BrF3N2O3
Molecular Weight367.12 g/mol
Exact Mass365.98
IUPAC Name4-bromo-5-ethyl-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESCCc1cc(OC)n2nc(C(F)(F)F)c(C(=O)O)c2c1Br
InChIInChI=1S/C12H10BrF3N2O3/c1-3-5-4-6(21-2)18-9(8(5)13)7(11(19)20)10(17-18)12(14,15)16/h4H,3H2,1-2H3,(H,19,20)
InChIKeyMSKIMVUQMYWYNT-UHFFFAOYSA-N
XLogP3.38
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.12
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-ethyl-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The IUPAC name of 4-bromo-5-ethyl-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid (CID 67304162) is 4-bromo-5-ethyl-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-bromo-5-ethyl-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The canonical SMILES for 4-bromo-5-ethyl-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid is CCc1cc(OC)n2nc(C(F)(F)F)c(C(=O)O)c2c1Br.
What is the InChIKey of 4-bromo-5-ethyl-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The InChIKey is MSKIMVUQMYWYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF3N2O3/c1-3-5-4-6(21-2)18-9(8(5)13)7(11(19)20)10(17-18)12(14,15)16/h4H,3H2,1-2H3,(H,19,20).
What are the key properties of 4-bromo-5-ethyl-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid?
4-bromo-5-ethyl-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid has a molecular weight of 367.12 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-ethyl-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 67304162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).