[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-c]pyridin-5-yl]methanimine

C10H8F3N3 — CID 165402962

IUPAC[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-c]pyridin-5-yl]methanimine
SMILES[H]/N=C/c1cc2ccn(CC(F)(F)F)c2cn1
InChIInChI=1S/C10H8F3N3/c11-10(12,13)6-16-2-1-7-3-8(4-14)15-5-9(7)16/h1-5,14H,6H2/b14-4+
InChIKeyFIKFJEYPLBMSPL-LNKIKWGQSA-N
MW227.19 g/mol
LogP2.60
Rot. Bonds2

About [1-(2,2,2-trifluoroethyl)pyrrolo[2,3-c]pyridin-5-yl]methanimine

[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-c]pyridin-5-yl]methanimine (PubChem CID 165402962) has the molecular formula C10H8F3N3 and a molecular weight of 227.19 g/mol. Its IUPAC name is [1-(2,2,2-trifluoroethyl)pyrrolo[2,3-c]pyridin-5-yl]methanimine.

Molecular Properties

Compound Name[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-c]pyridin-5-yl]methanimine
PubChem CID165402962
Molecular FormulaC10H8F3N3
Molecular Weight227.19 g/mol
Exact Mass227.07
IUPAC Name[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-c]pyridin-5-yl]methanimine
SMILES[H]/N=C/c1cc2ccn(CC(F)(F)F)c2cn1
InChIInChI=1S/C10H8F3N3/c11-10(12,13)6-16-2-1-7-3-8(4-14)15-5-9(7)16/h1-5,14H,6H2/b14-4+
InChIKeyFIKFJEYPLBMSPL-LNKIKWGQSA-N
XLogP2.60
TPSA41.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 [1-(2,2,2-trifluoroethyl)pyrrolo[2,3-c]pyridin-5-yl]methanimine?
The IUPAC name of [1-(2,2,2-trifluoroethyl)pyrrolo[2,3-c]pyridin-5-yl]methanimine (CID 165402962) is [1-(2,2,2-trifluoroethyl)pyrrolo[2,3-c]pyridin-5-yl]methanimine.
What is the SMILES notation for [1-(2,2,2-trifluoroethyl)pyrrolo[2,3-c]pyridin-5-yl]methanimine?
The canonical SMILES for [1-(2,2,2-trifluoroethyl)pyrrolo[2,3-c]pyridin-5-yl]methanimine is [H]/N=C/c1cc2ccn(CC(F)(F)F)c2cn1.
What is the InChIKey of [1-(2,2,2-trifluoroethyl)pyrrolo[2,3-c]pyridin-5-yl]methanimine?
The InChIKey is FIKFJEYPLBMSPL-LNKIKWGQSA-N. The full InChI is InChI=1S/C10H8F3N3/c11-10(12,13)6-16-2-1-7-3-8(4-14)15-5-9(7)16/h1-5,14H,6H2/b14-4+.
What are the key properties of [1-(2,2,2-trifluoroethyl)pyrrolo[2,3-c]pyridin-5-yl]methanimine?
[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-c]pyridin-5-yl]methanimine has a molecular weight of 227.19 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2,2-trifluoroethyl)pyrrolo[2,3-c]pyridin-5-yl]methanimine is sourced from PubChem (CID 165402962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).