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

C10H10F3N3 — CID 19586145

IUPAC1,3,6-trimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
SMILESCc1cc(C(F)(F)F)c2c(C)nn(C)c2n1
InChIInChI=1S/C10H10F3N3/c1-5-4-7(10(11,12)13)8-6(2)15-16(3)9(8)14-5/h4H,1-3H3
InChIKeyPJJWNTNNTQFNKU-UHFFFAOYSA-N
MW229.20 g/mol
LogP2.60
Rot. Bonds

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

1,3,6-trimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine (PubChem CID 19586145) has the molecular formula C10H10F3N3 and a molecular weight of 229.20 g/mol. Its IUPAC name is 1,3,6-trimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name1,3,6-trimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
PubChem CID19586145
Molecular FormulaC10H10F3N3
Molecular Weight229.20 g/mol
Exact Mass229.08
IUPAC Name1,3,6-trimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
SMILESCc1cc(C(F)(F)F)c2c(C)nn(C)c2n1
InChIInChI=1S/C10H10F3N3/c1-5-4-7(10(11,12)13)8-6(2)15-16(3)9(8)14-5/h4H,1-3H3
InChIKeyPJJWNTNNTQFNKU-UHFFFAOYSA-N
XLogP2.60
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-6-(3-(trifluoromethyl)phenyl)-1,2,4-triazolo(4,3-b)pyridazine
CID 107950
R121919
CID 9821250
5,7-Dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine
CID 737207
5-Phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 719986
5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741597
Dsm-74
CID 25263414
2-Methyl-7-(3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 736074
3-methyl-1-phenyl-4,6-bis(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine
CID 555240
1,3-Dimethyl-6-(2-thienyl)-4-(trifluoromethyl)-1H-pyrazolo(3,4-B)pyridine
CID 2164249
N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 653193
2-{3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl}pyridine
CID 5329461
N-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 25263434

Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine?
The IUPAC name of 1,3,6-trimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine (CID 19586145) is 1,3,6-trimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 1,3,6-trimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine?
The canonical SMILES for 1,3,6-trimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine is Cc1cc(C(F)(F)F)c2c(C)nn(C)c2n1.
What is the InChIKey of 1,3,6-trimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine?
The InChIKey is PJJWNTNNTQFNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3/c1-5-4-7(10(11,12)13)8-6(2)15-16(3)9(8)14-5/h4H,1-3H3.
What are the key properties of 1,3,6-trimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine?
1,3,6-trimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine has a molecular weight of 229.20 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 19586145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).