1-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[4,5-b]pyridine

C13H9F3N4 — CID 166366462

IUPAC1-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[4,5-b]pyridine
SMILESCn1ncc2ncc(-c3ccnc(C(F)(F)F)c3)cc21
InChIInChI=1S/C13H9F3N4/c1-20-11-4-9(6-18-10(11)7-19-20)8-2-3-17-12(5-8)13(14,15)16/h2-7H,1H3
InChIKeyYJGUCBZNMKPJCQ-UHFFFAOYSA-N
MW278.24 g/mol
LogP3.05
Rot. Bonds1

About 1-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[4,5-b]pyridine

1-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[4,5-b]pyridine (PubChem CID 166366462) has the molecular formula C13H9F3N4 and a molecular weight of 278.24 g/mol. Its IUPAC name is 1-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name1-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[4,5-b]pyridine
PubChem CID166366462
Molecular FormulaC13H9F3N4
Molecular Weight278.24 g/mol
Exact Mass278.08
IUPAC Name1-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[4,5-b]pyridine
SMILESCn1ncc2ncc(-c3ccnc(C(F)(F)F)c3)cc21
InChIInChI=1S/C13H9F3N4/c1-20-11-4-9(6-18-10(11)7-19-20)8-2-3-17-12(5-8)13(14,15)16/h2-7H,1H3
InChIKeyYJGUCBZNMKPJCQ-UHFFFAOYSA-N
XLogP3.05
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 1-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[4,5-b]pyridine (CID 166366462) is 1-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 1-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 1-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[4,5-b]pyridine is Cn1ncc2ncc(-c3ccnc(C(F)(F)F)c3)cc21.
What is the InChIKey of 1-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[4,5-b]pyridine?
The InChIKey is YJGUCBZNMKPJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4/c1-20-11-4-9(6-18-10(11)7-19-20)8-2-3-17-12(5-8)13(14,15)16/h2-7H,1H3.
What are the key properties of 1-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[4,5-b]pyridine?
1-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[4,5-b]pyridine has a molecular weight of 278.24 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 166366462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).