iridium;6-[1-[6-(N-methylanilino)-2-pyridinyl]ethyl]pyridine-2-carboxylic acid

C20H18IrN3O2- — CID 58106975

IUPACiridium;6-[1-[6-(N-methylanilino)-2-pyridinyl]ethyl]pyridine-2-carboxylic acid
SMILESCC(c1cccc(C(=O)O)n1)c1cccc(N(C)c2[c-]cccc2)n1.[Ir]
InChIInChI=1S/C20H18N3O2.Ir/c1-14(16-10-6-12-18(21-16)20(24)25)17-11-7-13-19(22-17)23(2)15-8-4-3-5-9-15;/h3-8,10-14H,1-2H3,(H,24,25);/q-1;
InChIKeyUNGHLFNRNXWXIL-UHFFFAOYSA-N
MW524.60 g/mol
LogP3.89
Rot. Bonds5

About iridium;6-[1-[6-(N-methylanilino)-2-pyridinyl]ethyl]pyridine-2-carboxylic acid

iridium;6-[1-[6-(N-methylanilino)-2-pyridinyl]ethyl]pyridine-2-carboxylic acid (PubChem CID 58106975) has the molecular formula C20H18IrN3O2- and a molecular weight of 524.60 g/mol. Its IUPAC name is iridium;6-[1-[6-(N-methylanilino)-2-pyridinyl]ethyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Nameiridium;6-[1-[6-(N-methylanilino)-2-pyridinyl]ethyl]pyridine-2-carboxylic acid
PubChem CID58106975
Molecular FormulaC20H18IrN3O2-
Molecular Weight524.60 g/mol
Exact Mass525.10
IUPAC Nameiridium;6-[1-[6-(N-methylanilino)-2-pyridinyl]ethyl]pyridine-2-carboxylic acid
SMILESCC(c1cccc(C(=O)O)n1)c1cccc(N(C)c2[c-]cccc2)n1.[Ir]
InChIInChI=1S/C20H18N3O2.Ir/c1-14(16-10-6-12-18(21-16)20(24)25)17-11-7-13-19(22-17)23(2)15-8-4-3-5-9-15;/h3-8,10-14H,1-2H3,(H,24,25);/q-1;
InChIKeyUNGHLFNRNXWXIL-UHFFFAOYSA-N
XLogP3.89
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.60
LogP ≤ 53.89
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

5,6,7,8-Tetrahydro-1,8-naphthyridine-2-carboxylic acid
CID 51358533
6-[(3R*,4S*)-4-hydroxy-3,4-dimethyl-1-piperidinyl]-2-pyridinecarboxylic acid
CID 72914798
6-[[2-(Dimethylamino)phenyl]methyl-methylamino]pyridine-2-carboxylic acid
CID 122057521
6-[[(2S)-2-hydroxy-3-phenylpropyl]-methylamino]pyridine-2-carboxylic acid
CID 164634556
6-[4-[(4-fluorophenyl)methyl]-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]pyridine-2-carboxylic acid
CID 149363024
6-[3-Ethyl-4-[1-[5-(6-fluoro-5-methylcyclohepta-1,4,6-trien-1-yl)-8,8-dimethyl-6,7-dihydro-1,5-naphthyridin-2-yl]ethenyl]-3-methylpiperazin-1-yl]-3-methylpyridine-2-carboxylic acid
CID 174303932
(6-Carboxy-2-pyridinyl)-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-dimethylazanium
CID 58203026
6-[(3,5-Ditert-butylcyclohexa-2,4-dien-1-yl)-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]amino]pyridine-2-carboxylic acid
CID 59399198
1-(N-[3-(2,6-difluoro-3-pyridinyl)isoquinolin-1-yl]anilino)isoquinoline-3-carboxylic acid
CID 59399380
6-[Tert-butyl-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]amino]pyridine-2-carboxylic acid
CID 59399400
6-[[6-(2,6-Difluoro-3-pyridinyl)-2-pyridinyl]-methylamino]pyridine-2-carboxylic acid
CID 59399427
6-(N-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]anilino)pyridine-2-carboxylic acid
CID 59399482

Frequently Asked Questions

What is the IUPAC name of iridium;6-[1-[6-(N-methylanilino)-2-pyridinyl]ethyl]pyridine-2-carboxylic acid?
The IUPAC name of iridium;6-[1-[6-(N-methylanilino)-2-pyridinyl]ethyl]pyridine-2-carboxylic acid (CID 58106975) is iridium;6-[1-[6-(N-methylanilino)-2-pyridinyl]ethyl]pyridine-2-carboxylic acid.
What is the SMILES notation for iridium;6-[1-[6-(N-methylanilino)-2-pyridinyl]ethyl]pyridine-2-carboxylic acid?
The canonical SMILES for iridium;6-[1-[6-(N-methylanilino)-2-pyridinyl]ethyl]pyridine-2-carboxylic acid is CC(c1cccc(C(=O)O)n1)c1cccc(N(C)c2[c-]cccc2)n1.[Ir].
What is the InChIKey of iridium;6-[1-[6-(N-methylanilino)-2-pyridinyl]ethyl]pyridine-2-carboxylic acid?
The InChIKey is UNGHLFNRNXWXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N3O2.Ir/c1-14(16-10-6-12-18(21-16)20(24)25)17-11-7-13-19(22-17)23(2)15-8-4-3-5-9-15;/h3-8,10-14H,1-2H3,(H,24,25);/q-1;.
What are the key properties of iridium;6-[1-[6-(N-methylanilino)-2-pyridinyl]ethyl]pyridine-2-carboxylic acid?
iridium;6-[1-[6-(N-methylanilino)-2-pyridinyl]ethyl]pyridine-2-carboxylic acid has a molecular weight of 524.60 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;6-[1-[6-(N-methylanilino)-2-pyridinyl]ethyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 58106975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).