3-bromo-6-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine

C7H3BrF3N3 — CID 138110812

IUPAC3-bromo-6-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine
SMILESFC(F)(F)c1ccc2c(Br)[nH]nc2n1
InChIInChI=1S/C7H3BrF3N3/c8-5-3-1-2-4(7(9,10)11)12-6(3)14-13-5/h1-2H,(H,12,13,14)
InChIKeyFGNYSLMVYDTJFB-UHFFFAOYSA-N
MW266.02 g/mol
LogP2.74
Rot. Bonds

About 3-bromo-6-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine

3-bromo-6-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 138110812) has the molecular formula C7H3BrF3N3 and a molecular weight of 266.02 g/mol. Its IUPAC name is 3-bromo-6-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-bromo-6-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID138110812
Molecular FormulaC7H3BrF3N3
Molecular Weight266.02 g/mol
Exact Mass264.95
IUPAC Name3-bromo-6-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine
SMILESFC(F)(F)c1ccc2c(Br)[nH]nc2n1
InChIInChI=1S/C7H3BrF3N3/c8-5-3-1-2-4(7(9,10)11)12-6(3)14-13-5/h1-2H,(H,12,13,14)
InChIKeyFGNYSLMVYDTJFB-UHFFFAOYSA-N
XLogP2.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.02
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 54594002
3-bromo-5-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyridine
CID 121232095
3-bromo-6-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridine
CID 119081498
3-bromo-5,6-dimethyl-2H-pyrazolo[3,4-b]pyridine
CID 170904448
5,7-difluoro-2-(trifluoromethyl)quinoline
CID 11075309
3-bromo-6-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118704033
3-bromo-6-[2-(trifluoromethyl)phenyl]-2H-indazole
CID 175800117
2,6-bis(trifluoromethyl)pyridin-3-amine
CID 131531494
5-iodo-2-(trifluoromethyl)quinolin-6-amine
CID 162440825
5-methyl-2-(trifluoromethyl)quinolin-6-amine
CID 150996753
2-methoxy-5-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
CID 156690050
2-ethyl-5-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
CID 156690056

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-bromo-6-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine (CID 138110812) is 3-bromo-6-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-bromo-6-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-bromo-6-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine is FC(F)(F)c1ccc2c(Br)[nH]nc2n1.
What is the InChIKey of 3-bromo-6-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is FGNYSLMVYDTJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF3N3/c8-5-3-1-2-4(7(9,10)11)12-6(3)14-13-5/h1-2H,(H,12,13,14).
What are the key properties of 3-bromo-6-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine?
3-bromo-6-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 266.02 g/mol, XLogP of 2.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 138110812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).