3-phenyl-6-(trifluoromethyl)-1H-pyrazolo[4,3-b]pyridine

C13H8F3N3 — CID 1480380

IUPAC3-phenyl-6-(trifluoromethyl)-1H-pyrazolo[4,3-b]pyridine
SMILESFC(F)(F)c1cnc2c(-c3ccccc3)n[nH]c2c1
InChIInChI=1S/C13H8F3N3/c14-13(15,16)9-6-10-12(17-7-9)11(19-18-10)8-4-2-1-3-5-8/h1-7H,(H,18,19)
InChIKeyRMLYBOFNPFVGSA-UHFFFAOYSA-N
MW263.22 g/mol
LogP3.64
Rot. Bonds1

About 3-phenyl-6-(trifluoromethyl)-1H-pyrazolo[4,3-b]pyridine

3-phenyl-6-(trifluoromethyl)-1H-pyrazolo[4,3-b]pyridine (PubChem CID 1480380) has the molecular formula C13H8F3N3 and a molecular weight of 263.22 g/mol. Its IUPAC name is 3-phenyl-6-(trifluoromethyl)-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name3-phenyl-6-(trifluoromethyl)-1H-pyrazolo[4,3-b]pyridine
PubChem CID1480380
Molecular FormulaC13H8F3N3
Molecular Weight263.22 g/mol
Exact Mass263.07
IUPAC Name3-phenyl-6-(trifluoromethyl)-1H-pyrazolo[4,3-b]pyridine
SMILESFC(F)(F)c1cnc2c(-c3ccccc3)n[nH]c2c1
InChIInChI=1S/C13H8F3N3/c14-13(15,16)9-6-10-12(17-7-9)11(19-18-10)8-4-2-1-3-5-8/h1-7H,(H,18,19)
InChIKeyRMLYBOFNPFVGSA-UHFFFAOYSA-N
XLogP3.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 64961
Ly-364947
CID 447966
4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
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3-pyridin-4-yl-1H-indazole
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GW-6604
CID 9861063
RepSox
CID 449054
3-(1H-pyrazol-5-yl)pyridine
CID 7074967
N-(4-pyridinyl)-1H-indol-1-amine
CID 3081186
4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine
CID 3575503
2-(4-Fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9814925
2-(4-Fluorophenyl)-3-(4-pyridinyl)pyrazolo[1,5-a]pyridine
CID 9857146
2-(4-fluorophenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 9858084

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-6-(trifluoromethyl)-1H-pyrazolo[4,3-b]pyridine?
The IUPAC name of 3-phenyl-6-(trifluoromethyl)-1H-pyrazolo[4,3-b]pyridine (CID 1480380) is 3-phenyl-6-(trifluoromethyl)-1H-pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 3-phenyl-6-(trifluoromethyl)-1H-pyrazolo[4,3-b]pyridine?
The canonical SMILES for 3-phenyl-6-(trifluoromethyl)-1H-pyrazolo[4,3-b]pyridine is FC(F)(F)c1cnc2c(-c3ccccc3)n[nH]c2c1.
What is the InChIKey of 3-phenyl-6-(trifluoromethyl)-1H-pyrazolo[4,3-b]pyridine?
The InChIKey is RMLYBOFNPFVGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3/c14-13(15,16)9-6-10-12(17-7-9)11(19-18-10)8-4-2-1-3-5-8/h1-7H,(H,18,19).
What are the key properties of 3-phenyl-6-(trifluoromethyl)-1H-pyrazolo[4,3-b]pyridine?
3-phenyl-6-(trifluoromethyl)-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 263.22 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-6-(trifluoromethyl)-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 1480380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).