iridium;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine

C8H4F3IrN4- — CID 20807260

IUPACiridium;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
SMILESFC(F)(F)c1n[n-]c(-c2ccccn2)n1.[Ir]
InChIInChI=1S/C8H4F3N4.Ir/c9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;/h1-4H;/q-1;
InChIKeyOLDAUSIALMVPJW-UHFFFAOYSA-N
MW405.36 g/mol
LogP1.51
Rot. Bonds1

About iridium;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine

iridium;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine (PubChem CID 20807260) has the molecular formula C8H4F3IrN4- and a molecular weight of 405.36 g/mol. Its IUPAC name is iridium;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine.

Molecular Properties

Compound Nameiridium;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
PubChem CID20807260
Molecular FormulaC8H4F3IrN4-
Molecular Weight405.36 g/mol
Exact Mass406.00
IUPAC Nameiridium;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
SMILESFC(F)(F)c1n[n-]c(-c2ccccn2)n1.[Ir]
InChIInChI=1S/C8H4F3N4.Ir/c9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;/h1-4H;/q-1;
InChIKeyOLDAUSIALMVPJW-UHFFFAOYSA-N
XLogP1.51
TPSA52.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.36
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1E)-2-(1-methylpyrrol-2-yl)-1-azavinyl]-3,5-dimethyl-1,2,4-triazole
CID 6887199
6-(2-Pyridinyl)-3-(trifluoromethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 665916
3-Methyl-6-(2-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 666152
3,5-dimethyl-N-(2-pyridinylmethylene)-4H-1,2,4-triazol-4-amine
CID 6861734
5-(Trifluoromethyl)-2,12-diaza-6-azonia-7-azanidatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene
CID 140885632
2-[[2-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]pyridine
CID 53572070
N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 53575353
2-[[2-(1,2,4-Triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]pyridine
CID 53587806
N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine
CID 71928259
1-(1-methylpyrrol-2-yl)-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine
CID 75373685
2-[1-[(1-Ethyl-5-methylpyrazol-3-yl)methyl]tetrazol-5-yl]pyridine
CID 168283143
2-[5-(Trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine
CID 20807129

Frequently Asked Questions

What is the IUPAC name of iridium;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?
The IUPAC name of iridium;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine (CID 20807260) is iridium;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine.
What is the SMILES notation for iridium;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?
The canonical SMILES for iridium;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine is FC(F)(F)c1n[n-]c(-c2ccccn2)n1.[Ir].
What is the InChIKey of iridium;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?
The InChIKey is OLDAUSIALMVPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3N4.Ir/c9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;/h1-4H;/q-1;.
What are the key properties of iridium;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?
iridium;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine has a molecular weight of 405.36 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine is sourced from PubChem (CID 20807260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).