2-fluorophenol;2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum

C23H18FN2OPt- — CID 58636196

IUPAC2-fluorophenol;2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum
SMILESCc1cc(-c2ccccn2)[c-]c(-c2ccccn2)c1.Oc1ccccc1F.[Pt]
InChIInChI=1S/C17H13N2.C6H5FO.Pt/c1-13-10-14(16-6-2-4-8-18-16)12-15(11-13)17-7-3-5-9-19-17;7-5-3-1-2-4-6(5)8;/h2-11H,1H3;1-4,8H;/q-1;;
InChIKeyIYUXGGQRNXHYOR-UHFFFAOYSA-N
MW552.49 g/mol
LogP5.45
Rot. Bonds2

About 2-fluorophenol;2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum

2-fluorophenol;2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum (PubChem CID 58636196) has the molecular formula C23H18FN2OPt- and a molecular weight of 552.49 g/mol. Its IUPAC name is 2-fluorophenol;2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum.

Molecular Properties

Compound Name2-fluorophenol;2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum
PubChem CID58636196
Molecular FormulaC23H18FN2OPt-
Molecular Weight552.49 g/mol
Exact Mass552.11
IUPAC Name2-fluorophenol;2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum
SMILESCc1cc(-c2ccccn2)[c-]c(-c2ccccn2)c1.Oc1ccccc1F.[Pt]
InChIInChI=1S/C17H13N2.C6H5FO.Pt/c1-13-10-14(16-6-2-4-8-18-16)12-15(11-13)17-7-3-5-9-19-17;7-5-3-1-2-4-6(5)8;/h2-11H,1H3;1-4,8H;/q-1;;
InChIKeyIYUXGGQRNXHYOR-UHFFFAOYSA-N
XLogP5.45
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.49
LogP ≤ 55.45
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-[(Z)-[(2E)-1,3-Bis(pyridin-2-YL)but-2-EN-1-ylidene]amino]phenol
CID 135893022
4-[2-[2-(4-Methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenol
CID 136659643
2-[[6-[2,4-Difluoro-5-pyridin-2-yl-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]methyl]phenol;platinum
CID 58004397
2-[3,5-Bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;iridium;1-pyridin-2-ylethenol
CID 58461833
4-[2-[5-(3-Fluorophenyl)-2-pyridinyl]ethenyl]-2-methyl-4,6,7,8,9,9a-hexahydropyrrolo[3,4-a]indolizine-1,3-diol
CID 123264246
4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-2-methyl-4,6,7,8,9,9a-hexahydropyrrolo[3,4-a]indolizine-1,3-diol
CID 123297188
2-Ethyl-4-[2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-4,6,7,8,9,9a-hexahydropyrrolo[3,4-a]indolizine-1,3-diol
CID 123581480
2-ethyl-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-4,6,7,8,9,9a-hexahydropyrrolo[3,4-a]indolizine-1,3-diol
CID 123721241
2-Fluoro-4-(2-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-6-yl)phenol
CID 136346805
1-(3-Fluoro-4-hydroxyphenyl)-2-(2-methylpyrrol-1-yl)indigole-3-carbonitrile
CID 140565734
1-(2,3-Difluoro-4-hydroxyphenyl)-2-(2-ethylpyrrol-1-yl)indigole-3-carbonitrile
CID 140565740
4-[5-(6-Fluoro-5-methyl-2-pyridinyl)-2-pyridinyl]phenol
CID 141948092

Frequently Asked Questions

What is the IUPAC name of 2-fluorophenol;2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum?
The IUPAC name of 2-fluorophenol;2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum (CID 58636196) is 2-fluorophenol;2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum.
What is the SMILES notation for 2-fluorophenol;2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum?
The canonical SMILES for 2-fluorophenol;2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum is Cc1cc(-c2ccccn2)[c-]c(-c2ccccn2)c1.Oc1ccccc1F.[Pt].
What is the InChIKey of 2-fluorophenol;2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum?
The InChIKey is IYUXGGQRNXHYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N2.C6H5FO.Pt/c1-13-10-14(16-6-2-4-8-18-16)12-15(11-13)17-7-3-5-9-19-17;7-5-3-1-2-4-6(5)8;/h2-11H,1H3;1-4,8H;/q-1;;.
What are the key properties of 2-fluorophenol;2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum?
2-fluorophenol;2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum has a molecular weight of 552.49 g/mol, XLogP of 5.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorophenol;2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum is sourced from PubChem (CID 58636196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).