iridium;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide

C8H6F3IrN2O- — CID 20807127

IUPACiridium;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide
SMILESO=C([N-]Cc1ccccn1)C(F)(F)F.[Ir]
InChIInChI=1S/C8H7F3N2O.Ir/c9-8(10,11)7(14)13-5-6-3-1-2-4-12-6;/h1-4H,5H2,(H,13,14);/p-1
InChIKeySXJFWXUNPIFCCD-UHFFFAOYSA-M
MW395.36 g/mol
LogP2.04
Rot. Bonds2

About iridium;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide

iridium;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide (PubChem CID 20807127) has the molecular formula C8H6F3IrN2O- and a molecular weight of 395.36 g/mol. Its IUPAC name is iridium;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide.

Molecular Properties

Compound Nameiridium;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide
PubChem CID20807127
Molecular FormulaC8H6F3IrN2O-
Molecular Weight395.36 g/mol
Exact Mass396.01
IUPAC Nameiridium;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide
SMILESO=C([N-]Cc1ccccn1)C(F)(F)F.[Ir]
InChIInChI=1S/C8H7F3N2O.Ir/c9-8(10,11)7(14)13-5-6-3-1-2-4-12-6;/h1-4H,5H2,(H,13,14);/p-1
InChIKeySXJFWXUNPIFCCD-UHFFFAOYSA-M
XLogP2.04
TPSA44.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.36
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(pyridin-2-ylmethyl)acetamide
CID 5084090
N-[3-(dimethylamino)propyl]-N-(pyridin-2-ylmethyl)acetamide
CID 1921168
Acetamide, 2,2,2-trifluoro-N-3-pyridinyl-
CID 605298
1-(Pyridin-2-ylmethyl)pyrrole-2,5-dione
CID 240616
2,2,2-trifluoro-N-(pyridin-2-ylmethyl)acetamide
CID 4159002
1-[4-(4-Fluorophenyl)piperazin-1-yl]-2-pyrrol-1-ylethanone
CID 5308765
N-(6-cyanopyridin-3-yl)-2,2,2-trifluoroacetamide
CID 44574289
1-Methyl-6-(pyridin-2-yl)-1,2-dihydropyridin-2-one
CID 14926076
5-Isocyanato-2-(trifluoromethyl)pyridine
CID 23082031
N-((pyridin-2-yl)methyl)acetamide hydrochloride
CID 43810526
2-(Dimethylamino)-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone
CID 73440457
N-(6-fluoro-3-pyridinyl)-N-methylacetamide
CID 171345113

Frequently Asked Questions

What is the IUPAC name of iridium;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide?
The IUPAC name of iridium;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide (CID 20807127) is iridium;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide.
What is the SMILES notation for iridium;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide?
The canonical SMILES for iridium;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide is O=C([N-]Cc1ccccn1)C(F)(F)F.[Ir].
What is the InChIKey of iridium;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide?
The InChIKey is SXJFWXUNPIFCCD-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H7F3N2O.Ir/c9-8(10,11)7(14)13-5-6-3-1-2-4-12-6;/h1-4H,5H2,(H,13,14);/p-1.
What are the key properties of iridium;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide?
iridium;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide has a molecular weight of 395.36 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide is sourced from PubChem (CID 20807127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).