2,2,2-trifluoroacetic acid;1,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine

C11H16F3N3O2 — CID 158022574

IUPAC2,2,2-trifluoroacetic acid;1,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine
SMILESCn1ncc2c1C(C)(C)CNC2.O=C(O)C(F)(F)F
InChIInChI=1S/C9H15N3.C2HF3O2/c1-9(2)6-10-4-7-5-11-12(3)8(7)9;3-2(4,5)1(6)7/h5,10H,4,6H2,1-3H3;(H,6,7)
InChIKeyLGVDODRFRHELRE-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.43
Rot. Bonds

About 2,2,2-trifluoroacetic acid;1,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine

2,2,2-trifluoroacetic acid;1,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine (PubChem CID 158022574) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is 2,2,2-trifluoroacetic acid;1,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name2,2,2-trifluoroacetic acid;1,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine
PubChem CID158022574
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC Name2,2,2-trifluoroacetic acid;1,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine
SMILESCn1ncc2c1C(C)(C)CNC2.O=C(O)C(F)(F)F
InChIInChI=1S/C9H15N3.C2HF3O2/c1-9(2)6-10-4-7-5-11-12(3)8(7)9;3-2(4,5)1(6)7/h5,10H,4,6H2,1-3H3;(H,6,7)
InChIKeyLGVDODRFRHELRE-UHFFFAOYSA-N
XLogP1.43
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroacetic acid;1,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine?
The IUPAC name of 2,2,2-trifluoroacetic acid;1,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine (CID 158022574) is 2,2,2-trifluoroacetic acid;1,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine.
What is the SMILES notation for 2,2,2-trifluoroacetic acid;1,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine?
The canonical SMILES for 2,2,2-trifluoroacetic acid;1,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine is Cn1ncc2c1C(C)(C)CNC2.O=C(O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroacetic acid;1,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine?
The InChIKey is LGVDODRFRHELRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3.C2HF3O2/c1-9(2)6-10-4-7-5-11-12(3)8(7)9;3-2(4,5)1(6)7/h5,10H,4,6H2,1-3H3;(H,6,7).
What are the key properties of 2,2,2-trifluoroacetic acid;1,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine?
2,2,2-trifluoroacetic acid;1,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine has a molecular weight of 279.26 g/mol, XLogP of 1.43, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroacetic acid;1,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[4,5-c]pyridine is sourced from PubChem (CID 158022574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).