[7-iodo-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]methanimine

C9H5F3IN3 — CID 162554793

IUPAC[7-iodo-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]methanimine
SMILES[H]/N=C/c1ccc(I)n2nc(C(F)(F)F)cc12
InChIInChI=1S/C9H5F3IN3/c10-9(11,12)7-3-6-5(4-14)1-2-8(13)16(6)15-7/h1-4,14H/b14-4+
InChIKeyHOBPAYHJUURLAY-LNKIKWGQSA-N
MW339.06 g/mol
LogP2.96
Rot. Bonds1

About [7-iodo-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]methanimine

[7-iodo-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]methanimine (PubChem CID 162554793) has the molecular formula C9H5F3IN3 and a molecular weight of 339.06 g/mol. Its IUPAC name is [7-iodo-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]methanimine.

Molecular Properties

Compound Name[7-iodo-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]methanimine
PubChem CID162554793
Molecular FormulaC9H5F3IN3
Molecular Weight339.06 g/mol
Exact Mass338.95
IUPAC Name[7-iodo-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]methanimine
SMILES[H]/N=C/c1ccc(I)n2nc(C(F)(F)F)cc12
InChIInChI=1S/C9H5F3IN3/c10-9(11,12)7-3-6-5(4-14)1-2-8(13)16(6)15-7/h1-4,14H/b14-4+
InChIKeyHOBPAYHJUURLAY-LNKIKWGQSA-N
XLogP2.96
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.06
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [7-iodo-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]methanimine?
The IUPAC name of [7-iodo-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]methanimine (CID 162554793) is [7-iodo-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]methanimine.
What is the SMILES notation for [7-iodo-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]methanimine?
The canonical SMILES for [7-iodo-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]methanimine is [H]/N=C/c1ccc(I)n2nc(C(F)(F)F)cc12.
What is the InChIKey of [7-iodo-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]methanimine?
The InChIKey is HOBPAYHJUURLAY-LNKIKWGQSA-N. The full InChI is InChI=1S/C9H5F3IN3/c10-9(11,12)7-3-6-5(4-14)1-2-8(13)16(6)15-7/h1-4,14H/b14-4+.
What are the key properties of [7-iodo-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]methanimine?
[7-iodo-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]methanimine has a molecular weight of 339.06 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-iodo-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]methanimine is sourced from PubChem (CID 162554793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).