iridium;6-oxo-10H-isochromeno[4,3-b]pyridin-10-ide-8-carbonitrile

C13H5IrN2O2- — CID 59342939

IUPACiridium;6-oxo-10H-isochromeno[4,3-b]pyridin-10-ide-8-carbonitrile
SMILESN#Cc1c[c-]c2c(c1)c(=O)oc1cccnc12.[Ir]
InChIInChI=1S/C13H5N2O2.Ir/c14-7-8-3-4-9-10(6-8)13(16)17-11-2-1-5-15-12(9)11;/h1-3,5-6H;/q-1;
InChIKeyWGPVZFFIDVMBCD-UHFFFAOYSA-N
MW413.41 g/mol
LogP2.01
Rot. Bonds

About iridium;6-oxo-10H-isochromeno[4,3-b]pyridin-10-ide-8-carbonitrile

iridium;6-oxo-10H-isochromeno[4,3-b]pyridin-10-ide-8-carbonitrile (PubChem CID 59342939) has the molecular formula C13H5IrN2O2- and a molecular weight of 413.41 g/mol. Its IUPAC name is iridium;6-oxo-10H-isochromeno[4,3-b]pyridin-10-ide-8-carbonitrile.

Molecular Properties

Compound Nameiridium;6-oxo-10H-isochromeno[4,3-b]pyridin-10-ide-8-carbonitrile
PubChem CID59342939
Molecular FormulaC13H5IrN2O2-
Molecular Weight413.41 g/mol
Exact Mass414.00
IUPAC Nameiridium;6-oxo-10H-isochromeno[4,3-b]pyridin-10-ide-8-carbonitrile
SMILESN#Cc1c[c-]c2c(c1)c(=O)oc1cccnc12.[Ir]
InChIInChI=1S/C13H5N2O2.Ir/c14-7-8-3-4-9-10(6-8)13(16)17-11-2-1-5-15-12(9)11;/h1-3,5-6H;/q-1;
InChIKeyWGPVZFFIDVMBCD-UHFFFAOYSA-N
XLogP2.01
TPSA66.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.41
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

10-Methyl-2-oxo-2H-pyrano[3,2-a]indolizine-3-carbonitrile
CID 389677
2-Methyl-5-acetoxypyridine
CID 521235
2-(((Acetyloxy)imino)methyl)-3-pyridinyl acetate
CID 9571334
Pyranopyridone
CID 10909713
2H-Pyrano[2,3-c]pyridin-2-one
CID 12414075
Furo[3,2-B]pyridin-2(3H)-one
CID 13384344
4-Hydroxy-2H-pyrano[3,2-b]pyridin-2-one
CID 54734203
Vinylpyridine methacrylate
CID 129695954
iridium;7-(trifluoromethyl)-10H-isochromeno[4,3-b]pyridin-10-id-6-one
CID 59342953
(2-Cyano-3-pyridinyl) 2,2,2-trifluoroacetate
CID 140706807
(2-Ethenyl-3-pyridinyl) acetate
CID 45090995
10-Ethyl-2-oxopyrano[3,2-a]indolizine-3-carbonitrile
CID 23241098

Frequently Asked Questions

What is the IUPAC name of iridium;6-oxo-10H-isochromeno[4,3-b]pyridin-10-ide-8-carbonitrile?
The IUPAC name of iridium;6-oxo-10H-isochromeno[4,3-b]pyridin-10-ide-8-carbonitrile (CID 59342939) is iridium;6-oxo-10H-isochromeno[4,3-b]pyridin-10-ide-8-carbonitrile.
What is the SMILES notation for iridium;6-oxo-10H-isochromeno[4,3-b]pyridin-10-ide-8-carbonitrile?
The canonical SMILES for iridium;6-oxo-10H-isochromeno[4,3-b]pyridin-10-ide-8-carbonitrile is N#Cc1c[c-]c2c(c1)c(=O)oc1cccnc12.[Ir].
What is the InChIKey of iridium;6-oxo-10H-isochromeno[4,3-b]pyridin-10-ide-8-carbonitrile?
The InChIKey is WGPVZFFIDVMBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5N2O2.Ir/c14-7-8-3-4-9-10(6-8)13(16)17-11-2-1-5-15-12(9)11;/h1-3,5-6H;/q-1;.
What are the key properties of iridium;6-oxo-10H-isochromeno[4,3-b]pyridin-10-ide-8-carbonitrile?
iridium;6-oxo-10H-isochromeno[4,3-b]pyridin-10-ide-8-carbonitrile has a molecular weight of 413.41 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;6-oxo-10H-isochromeno[4,3-b]pyridin-10-ide-8-carbonitrile is sourced from PubChem (CID 59342939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).