ethane;[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]methanimine

C11H13F3N4 — CID 165403043

IUPACethane;[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]methanimine
SMILESCC.[H]/N=C/c1cc2cnn(CC(F)(F)F)c2cn1
InChIInChI=1S/C9H7F3N4.C2H6/c10-9(11,12)5-16-8-4-14-7(2-13)1-6(8)3-15-16;1-2/h1-4,13H,5H2;1-2H3/b13-2+;
InChIKeyYLVGHPFMPZGGSX-DLQCNJJKSA-N
MW258.25 g/mol
LogP3.02
Rot. Bonds2

About ethane;[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]methanimine

ethane;[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]methanimine (PubChem CID 165403043) has the molecular formula C11H13F3N4 and a molecular weight of 258.25 g/mol. Its IUPAC name is ethane;[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]methanimine.

Molecular Properties

Compound Nameethane;[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]methanimine
PubChem CID165403043
Molecular FormulaC11H13F3N4
Molecular Weight258.25 g/mol
Exact Mass258.11
IUPAC Nameethane;[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]methanimine
SMILESCC.[H]/N=C/c1cc2cnn(CC(F)(F)F)c2cn1
InChIInChI=1S/C9H7F3N4.C2H6/c10-9(11,12)5-16-8-4-14-7(2-13)1-6(8)3-15-16;1-2/h1-4,13H,5H2;1-2H3/b13-2+;
InChIKeyYLVGHPFMPZGGSX-DLQCNJJKSA-N
XLogP3.02
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]methanimine?
The IUPAC name of ethane;[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]methanimine (CID 165403043) is ethane;[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]methanimine.
What is the SMILES notation for ethane;[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]methanimine?
The canonical SMILES for ethane;[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]methanimine is CC.[H]/N=C/c1cc2cnn(CC(F)(F)F)c2cn1.
What is the InChIKey of ethane;[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]methanimine?
The InChIKey is YLVGHPFMPZGGSX-DLQCNJJKSA-N. The full InChI is InChI=1S/C9H7F3N4.C2H6/c10-9(11,12)5-16-8-4-14-7(2-13)1-6(8)3-15-16;1-2/h1-4,13H,5H2;1-2H3/b13-2+;.
What are the key properties of ethane;[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]methanimine?
ethane;[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]methanimine has a molecular weight of 258.25 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]methanimine is sourced from PubChem (CID 165403043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).