iridium;2-methyl-3-phenylquinoxaline;pyridine-2-carboxylic acid

C21H16IrN3O2- — CID 59464597

IUPACiridium;2-methyl-3-phenylquinoxaline;pyridine-2-carboxylic acid
SMILESCc1nc2ccccc2nc1-c1[c-]cccc1.O=C(O)c1ccccn1.[Ir]
InChIInChI=1S/C15H11N2.C6H5NO2.Ir/c1-11-15(12-7-3-2-4-8-12)17-14-10-6-5-9-13(14)16-11;8-6(9)5-3-1-2-4-7-5;/h2-7,9-10H,1H3;1-4H,(H,8,9);/q-1;;
InChIKeyYGKIVDNYAIDHON-UHFFFAOYSA-N
MW534.60 g/mol
LogP4.18
Rot. Bonds2

About iridium;2-methyl-3-phenylquinoxaline;pyridine-2-carboxylic acid

iridium;2-methyl-3-phenylquinoxaline;pyridine-2-carboxylic acid (PubChem CID 59464597) has the molecular formula C21H16IrN3O2- and a molecular weight of 534.60 g/mol. Its IUPAC name is iridium;2-methyl-3-phenylquinoxaline;pyridine-2-carboxylic acid.

Molecular Properties

Compound Nameiridium;2-methyl-3-phenylquinoxaline;pyridine-2-carboxylic acid
PubChem CID59464597
Molecular FormulaC21H16IrN3O2-
Molecular Weight534.60 g/mol
Exact Mass535.09
IUPAC Nameiridium;2-methyl-3-phenylquinoxaline;pyridine-2-carboxylic acid
SMILESCc1nc2ccccc2nc1-c1[c-]cccc1.O=C(O)c1ccccn1.[Ir]
InChIInChI=1S/C15H11N2.C6H5NO2.Ir/c1-11-15(12-7-3-2-4-8-12)17-14-10-6-5-9-13(14)16-11;8-6(9)5-3-1-2-4-7-5;/h2-7,9-10H,1H3;1-4H,(H,8,9);/q-1;;
InChIKeyYGKIVDNYAIDHON-UHFFFAOYSA-N
XLogP4.18
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.60
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Pyrrolo[1,2-a]quinoxaline-4-carboxylic acid
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tris(pyridine-2-carboxylato-kappa(2)N,O)chromium
CID 24883444
2-[3,5-Bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;iridium;pyridine-2-carboxylic acid
CID 57527662
2-[3,5-Bis(trifluoromethyl)benzene-6-id-1-yl]-3-[3,5-bis(trifluoromethyl)phenyl]pyrazine;iridium;pyridine-2-carboxylic acid
CID 57543609
Iridium;pyridine-2-carboxylic acid;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinoxaline
CID 57567877
Iridium;pyridine-2-carboxylic acid;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-4,5,6,7-tetrahydrobenzotriazole
CID 57609785
iridium;2-(1-phenyl-3H-pyrrol-3-id-2-yl)-5-(trifluoromethyl)pyridine;pyridine-2-carboxylic acid
CID 57873059
2-[2,4-Difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;iridium;pyridine-2-carboxylic acid
CID 57935308
2-Methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;platinum;pyridine-2-carboxylic acid
CID 58090542
3,5-dimethyl-2-[4-(trifluoromethyl)-2H-naphthalen-2-id-1-yl]pyrazine;iridium;pyridine-2-carboxylic acid
CID 58219425
2-(4-Methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;platinum;pyridine-2-carboxylic acid
CID 58389305

Frequently Asked Questions

What is the IUPAC name of iridium;2-methyl-3-phenylquinoxaline;pyridine-2-carboxylic acid?
The IUPAC name of iridium;2-methyl-3-phenylquinoxaline;pyridine-2-carboxylic acid (CID 59464597) is iridium;2-methyl-3-phenylquinoxaline;pyridine-2-carboxylic acid.
What is the SMILES notation for iridium;2-methyl-3-phenylquinoxaline;pyridine-2-carboxylic acid?
The canonical SMILES for iridium;2-methyl-3-phenylquinoxaline;pyridine-2-carboxylic acid is Cc1nc2ccccc2nc1-c1[c-]cccc1.O=C(O)c1ccccn1.[Ir].
What is the InChIKey of iridium;2-methyl-3-phenylquinoxaline;pyridine-2-carboxylic acid?
The InChIKey is YGKIVDNYAIDHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N2.C6H5NO2.Ir/c1-11-15(12-7-3-2-4-8-12)17-14-10-6-5-9-13(14)16-11;8-6(9)5-3-1-2-4-7-5;/h2-7,9-10H,1H3;1-4H,(H,8,9);/q-1;;.
What are the key properties of iridium;2-methyl-3-phenylquinoxaline;pyridine-2-carboxylic acid?
iridium;2-methyl-3-phenylquinoxaline;pyridine-2-carboxylic acid has a molecular weight of 534.60 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-methyl-3-phenylquinoxaline;pyridine-2-carboxylic acid is sourced from PubChem (CID 59464597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).