2-(dimethylamino)phenol;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium

C19H18FIrN2O- — CID 23568224

IUPAC2-(dimethylamino)phenol;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium
SMILESCN(C)c1ccccc1O.Fc1c[c-]c(-c2ccccn2)cc1.[Ir]
InChIInChI=1S/C11H7FN.C8H11NO.Ir/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;1-9(2)7-5-3-4-6-8(7)10;/h1-4,6-8H;3-6,10H,1-2H3;/q-1;;
InChIKeyDCOIOIYKCHQXGM-UHFFFAOYSA-N
MW501.58 g/mol
LogP4.14
Rot. Bonds2

About 2-(dimethylamino)phenol;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium

2-(dimethylamino)phenol;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium (PubChem CID 23568224) has the molecular formula C19H18FIrN2O- and a molecular weight of 501.58 g/mol. Its IUPAC name is 2-(dimethylamino)phenol;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium.

Molecular Properties

Compound Name2-(dimethylamino)phenol;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium
PubChem CID23568224
Molecular FormulaC19H18FIrN2O-
Molecular Weight501.58 g/mol
Exact Mass502.10
IUPAC Name2-(dimethylamino)phenol;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium
SMILESCN(C)c1ccccc1O.Fc1c[c-]c(-c2ccccn2)cc1.[Ir]
InChIInChI=1S/C11H7FN.C8H11NO.Ir/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;1-9(2)7-5-3-4-6-8(7)10;/h1-4,6-8H;3-6,10H,1-2H3;/q-1;;
InChIKeyDCOIOIYKCHQXGM-UHFFFAOYSA-N
XLogP4.14
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.58
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-Pyrrol-1-Yl)Phenol
CID 712334
Phenol, 2-[(2-pyridinylmethylene)amino]-
CID 135496814
(e)-2-((Pyridin-4-ylmethylene)amino)phenol
CID 677059
2-{[(E)-pyridin-3-ylmethylidene]amino}phenol
CID 708096
2-[(Z)-[(2E)-1,3-Bis(pyridin-2-YL)but-2-EN-1-ylidene]amino]phenol
CID 135893022
4-Methyl-2-(pyridin-2-ylmethylideneamino)phenol
CID 135520269
2-[4-(Pyridin-2-ylmethyl)piperazin-1-yl]phenol
CID 17424463
1h-Pyrrolo[3,4-c]pyridin-7-ol,2-(2,4-difluorophenyl)-2,3-dihydro-6-methyl-
CID 14989699
2-[3,5-Bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;iridium;1-pyridin-2-ylethenol
CID 58461833
3-Fluoro-2-(1H-pyrrol-1-yl)phenol
CID 58551451
2-[4-[[4-(4-Fluorophenyl)-2-pyridinyl]methyl]piperazin-1-yl]phenol
CID 70248320
1-(3-Fluoro-4-hydroxyphenyl)-2-(2-methylpyrrol-1-yl)indigole-3-carbonitrile
CID 140565734

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)phenol;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium?
The IUPAC name of 2-(dimethylamino)phenol;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium (CID 23568224) is 2-(dimethylamino)phenol;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium.
What is the SMILES notation for 2-(dimethylamino)phenol;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium?
The canonical SMILES for 2-(dimethylamino)phenol;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium is CN(C)c1ccccc1O.Fc1c[c-]c(-c2ccccn2)cc1.[Ir].
What is the InChIKey of 2-(dimethylamino)phenol;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium?
The InChIKey is DCOIOIYKCHQXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN.C8H11NO.Ir/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;1-9(2)7-5-3-4-6-8(7)10;/h1-4,6-8H;3-6,10H,1-2H3;/q-1;;.
What are the key properties of 2-(dimethylamino)phenol;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium?
2-(dimethylamino)phenol;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium has a molecular weight of 501.58 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)phenol;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium is sourced from PubChem (CID 23568224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).