6-chloro-3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidine

C6H2ClF3N4 — CID 70700884

IUPAC6-chloro-3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidine
SMILESFC(F)(F)c1[nH]nc2nc(Cl)ncc12
InChIInChI=1S/C6H2ClF3N4/c7-5-11-1-2-3(6(8,9)10)13-14-4(2)12-5/h1H,(H,11,12,13,14)
InChIKeyRCFCMWHDZCRZLY-UHFFFAOYSA-N
MW222.56 g/mol
LogP2.03
Rot. Bonds

About 6-chloro-3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidine

6-chloro-3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidine (PubChem CID 70700884) has the molecular formula C6H2ClF3N4 and a molecular weight of 222.56 g/mol. Its IUPAC name is 6-chloro-3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-chloro-3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidine
PubChem CID70700884
Molecular FormulaC6H2ClF3N4
Molecular Weight222.56 g/mol
Exact Mass221.99
IUPAC Name6-chloro-3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidine
SMILESFC(F)(F)c1[nH]nc2nc(Cl)ncc12
InChIInChI=1S/C6H2ClF3N4/c7-5-11-1-2-3(6(8,9)10)13-14-4(2)12-5/h1H,(H,11,12,13,14)
InChIKeyRCFCMWHDZCRZLY-UHFFFAOYSA-N
XLogP2.03
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.56
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 219854
4-amino-1H-pyrazolo(3,4-d)pyrimidine-3-carbonitrile
CID 262440
6-chloro-3-methyl-1H-pyrazolo(3,4-d)pyrimidine
CID 17569283
6-Chloro-2,3-dimethyl-2H-pyrazolo[3,4-d]pyrimidine
CID 92133834
6-chloro-4-methyl-1H-pyrazolo[3,4-d]pyrimidine dihydrochloride
CID 121514129
6-chloro-4-methyl-1H-pyrazolo[3,4-d]pyrimidine
CID 57654266
1h-Pyrazolo[3,4-d]pyrimidine,6-(trifluoromethyl)-
CID 69243964
3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidine
CID 69245165
1h-Pyrazolo[3,4-d]pyrimidine,4-chloro-3-(trifluoromethyl)-
CID 76847045
3-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 115022764
N'-methyl-6-(4,4,4-trifluorobutyl)-1H-pyrazolo[3,4-d]pyrimidine-4-carboximidamide
CID 118142284
1-Methyl-6-(3,3,3-trifluoropropyl)pyrazolo[3,4-d]pyrimidine-4-carboximidamide
CID 122616722

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 6-chloro-3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidine (CID 70700884) is 6-chloro-3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 6-chloro-3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 6-chloro-3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidine is FC(F)(F)c1[nH]nc2nc(Cl)ncc12.
What is the InChIKey of 6-chloro-3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidine?
The InChIKey is RCFCMWHDZCRZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClF3N4/c7-5-11-1-2-3(6(8,9)10)13-14-4(2)12-5/h1H,(H,11,12,13,14).
What are the key properties of 6-chloro-3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidine?
6-chloro-3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidine has a molecular weight of 222.56 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 70700884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).