3-(6-hydroxyhexoxy)pyridine-2-carboxylic acid;iridium;bis(2-phenylpyridine)

C34H33IrN3O4-2 — CID 58352533

IUPAC3-(6-hydroxyhexoxy)pyridine-2-carboxylic acid;iridium;bis(2-phenylpyridine)
SMILESO=C(O)c1ncccc1OCCCCCCO.[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C12H17NO4.2C11H8N.Ir/c14-8-3-1-2-4-9-17-10-6-5-7-13-11(10)12(15)16;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h5-7,14H,1-4,8-9H2,(H,15,16);2*1-6,8-9H;/q;2*-1;
InChIKeyQTPIVUWSOZIHLB-UHFFFAOYSA-N
MW739.87 g/mol
LogP6.81
Rot. Bonds10

About 3-(6-hydroxyhexoxy)pyridine-2-carboxylic acid;iridium;bis(2-phenylpyridine)

3-(6-hydroxyhexoxy)pyridine-2-carboxylic acid;iridium;bis(2-phenylpyridine) (PubChem CID 58352533) has the molecular formula C34H33IrN3O4-2 and a molecular weight of 739.87 g/mol. Its IUPAC name is 3-(6-hydroxyhexoxy)pyridine-2-carboxylic acid;iridium;bis(2-phenylpyridine).

Molecular Properties

Compound Name3-(6-hydroxyhexoxy)pyridine-2-carboxylic acid;iridium;bis(2-phenylpyridine)
PubChem CID58352533
Molecular FormulaC34H33IrN3O4-2
Molecular Weight739.87 g/mol
Exact Mass740.21
IUPAC Name3-(6-hydroxyhexoxy)pyridine-2-carboxylic acid;iridium;bis(2-phenylpyridine)
SMILESO=C(O)c1ncccc1OCCCCCCO.[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C12H17NO4.2C11H8N.Ir/c14-8-3-1-2-4-9-17-10-6-5-7-13-11(10)12(15)16;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h5-7,14H,1-4,8-9H2,(H,15,16);2*1-6,8-9H;/q;2*-1;
InChIKeyQTPIVUWSOZIHLB-UHFFFAOYSA-N
XLogP6.81
TPSA105.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.87
LogP ≤ 56.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(6-hydroxyhexoxy)pyridine-2-carboxylic acid;iridium;bis(2-phenylpyridine) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[6-[3,5-Bis[6-[(2-carboxy-3-pyridinyl)oxy]hexoxy]phenoxy]hexoxy]pyridine-2-carboxylic acid
CID 102457695
3-[6-[4-[3,5-Bis[4-[6-[(2-carboxy-3-pyridinyl)oxy]hexoxy]phenyl]phenyl]phenoxy]hexoxy]pyridine-2-carboxylic acid
CID 102457697
3-(Pyridin-4-ylmethoxy)pyridine-2-carboxylic acid
CID 22923854
3-(Pyridin-2-ylmethoxy)pyridine-2-carboxylic acid
CID 22923916
CID 57610391
CID 57610391
Bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium;3-pent-4-enoxypyridine-2-carboxylic acid
CID 57610395
Bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium;3-pentoxypyridine-2-carboxylic acid
CID 57610401
Azanide;carbanide;iridium;3-pent-4-enoxypyridine-2-carboxylic acid
CID 57610405
2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;iridium;methanidyl 3-hydroxypyridine-2-carboxylate
CID 57610546
2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;iridium;3-methoxypyridine-2-carboxylic acid
CID 57711857
2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;iridium;3-[(3-methoxycarbonylphenyl)methoxy]pyridine-2-carboxylic acid
CID 57824257
2-(2,4-Dimethoxybenzene-6-id-1-yl)-4-methoxypyridine;iridium;pyridine-2-carboxylic acid
CID 57872587

Frequently Asked Questions

What is the IUPAC name of 3-(6-hydroxyhexoxy)pyridine-2-carboxylic acid;iridium;bis(2-phenylpyridine)?
The IUPAC name of 3-(6-hydroxyhexoxy)pyridine-2-carboxylic acid;iridium;bis(2-phenylpyridine) (CID 58352533) is 3-(6-hydroxyhexoxy)pyridine-2-carboxylic acid;iridium;bis(2-phenylpyridine).
What is the SMILES notation for 3-(6-hydroxyhexoxy)pyridine-2-carboxylic acid;iridium;bis(2-phenylpyridine)?
The canonical SMILES for 3-(6-hydroxyhexoxy)pyridine-2-carboxylic acid;iridium;bis(2-phenylpyridine) is O=C(O)c1ncccc1OCCCCCCO.[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 3-(6-hydroxyhexoxy)pyridine-2-carboxylic acid;iridium;bis(2-phenylpyridine)?
The InChIKey is QTPIVUWSOZIHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4.2C11H8N.Ir/c14-8-3-1-2-4-9-17-10-6-5-7-13-11(10)12(15)16;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h5-7,14H,1-4,8-9H2,(H,15,16);2*1-6,8-9H;/q;2*-1;.
What are the key properties of 3-(6-hydroxyhexoxy)pyridine-2-carboxylic acid;iridium;bis(2-phenylpyridine)?
3-(6-hydroxyhexoxy)pyridine-2-carboxylic acid;iridium;bis(2-phenylpyridine) has a molecular weight of 739.87 g/mol, XLogP of 6.81, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-hydroxyhexoxy)pyridine-2-carboxylic acid;iridium;bis(2-phenylpyridine) is sourced from PubChem (CID 58352533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).