3-[4-(hydroxymethyl)-2-pyridinyl]-5-methylbenzene-2-ide-1-carbonitrile;2-[3-isocyano-5-(trifluoromethyl)benzene-2-id-1-yl]-4-methoxypyridine;platinum(2+)

C28H19F3N4O2Pt — CID 58401686

IUPAC3-[4-(hydroxymethyl)-2-pyridinyl]-5-methylbenzene-2-ide-1-carbonitrile;2-[3-isocyano-5-(trifluoromethyl)benzene-2-id-1-yl]-4-methoxypyridine;platinum(2+)
SMILESCc1cc(C#N)[c-]c(-c2cc(CO)ccn2)c1.[C-]#[N+]c1[c-]c(-c2cc(OC)ccn2)cc(C(F)(F)F)c1.[Pt+2]
InChIInChI=1S/C14H8F3N2O.C14H11N2O.Pt/c1-18-11-6-9(5-10(7-11)14(15,16)17)13-8-12(20-2)3-4-19-13;1-10-4-12(8-15)6-13(5-10)14-7-11(9-17)2-3-16-14;/h3-5,7-8H,2H3;2-5,7,17H,9H2,1H3;/q2*-1;+2
InChIKeyJDNPTCYWTRUVJV-UHFFFAOYSA-N
MW695.56 g/mol
LogP6.35
Rot. Bonds4

About 3-[4-(hydroxymethyl)-2-pyridinyl]-5-methylbenzene-2-ide-1-carbonitrile;2-[3-isocyano-5-(trifluoromethyl)benzene-2-id-1-yl]-4-methoxypyridine;platinum(2+)

3-[4-(hydroxymethyl)-2-pyridinyl]-5-methylbenzene-2-ide-1-carbonitrile;2-[3-isocyano-5-(trifluoromethyl)benzene-2-id-1-yl]-4-methoxypyridine;platinum(2+) (PubChem CID 58401686) has the molecular formula C28H19F3N4O2Pt and a molecular weight of 695.56 g/mol. Its IUPAC name is 3-[4-(hydroxymethyl)-2-pyridinyl]-5-methylbenzene-2-ide-1-carbonitrile;2-[3-isocyano-5-(trifluoromethyl)benzene-2-id-1-yl]-4-methoxypyridine;platinum(2+).

Molecular Properties

Compound Name3-[4-(hydroxymethyl)-2-pyridinyl]-5-methylbenzene-2-ide-1-carbonitrile;2-[3-isocyano-5-(trifluoromethyl)benzene-2-id-1-yl]-4-methoxypyridine;platinum(2+)
PubChem CID58401686
Molecular FormulaC28H19F3N4O2Pt
Molecular Weight695.56 g/mol
Exact Mass695.11
IUPAC Name3-[4-(hydroxymethyl)-2-pyridinyl]-5-methylbenzene-2-ide-1-carbonitrile;2-[3-isocyano-5-(trifluoromethyl)benzene-2-id-1-yl]-4-methoxypyridine;platinum(2+)
SMILESCc1cc(C#N)[c-]c(-c2cc(CO)ccn2)c1.[C-]#[N+]c1[c-]c(-c2cc(OC)ccn2)cc(C(F)(F)F)c1.[Pt+2]
InChIInChI=1S/C14H8F3N2O.C14H11N2O.Pt/c1-18-11-6-9(5-10(7-11)14(15,16)17)13-8-12(20-2)3-4-19-13;1-10-4-12(8-15)6-13(5-10)14-7-11(9-17)2-3-16-14;/h3-5,7-8H,2H3;2-5,7,17H,9H2,1H3;/q2*-1;+2
InChIKeyJDNPTCYWTRUVJV-UHFFFAOYSA-N
XLogP6.35
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.56
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4,4'-Dimethoxy-2,2'-bipyridine]-[p-(trifluoromethyl)phenyl]-nickel bromide
CID 166449619
Chloroplatinum(1+);4-methoxy-2-[3-(4-methoxy-2-pyridinyl)-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine
CID 21024872
(Z)-4-hydroxypent-3-en-2-one;4-methoxy-2-[3-phenyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;platinum
CID 57872740
Bis(2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methoxypyridine);platinum(2+)
CID 57872972
2-[3-Isocyano-5-(trifluoromethyl)benzene-2-id-1-yl]-4-methoxypyridine;3-(4-methoxy-2-pyridinyl)-5-(trifluoromethyl)benzene-2-ide-1-carbonitrile;platinum(2+)
CID 57873071
4-Methoxy-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum(2+)
CID 58401598
4-Methoxy-2-[5-methyl-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;platinum(2+);[2-[5-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanol
CID 58401771
[2-[2,3-Diphenyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;4-methoxy-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;platinum(2+)
CID 58401824
3,5-Difluoro-4-[[3-hydroxy-2-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]oxy]benzonitrile
CID 131992852
5-[4-(Pyridin-2-ylmethyl)cyclohexa-1,5-dien-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-1,3,3a,4-tetrahydroisoindole-1,7-diol
CID 143187755
1-[3-(5-ethyl-2-pyridinyl)propyl]piperidin-4-ol;methyl 3-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethenyl]-2H-pyrrole-5-carboximidate
CID 143992714
5-[4-[Hydroxy-(4-methoxy-3-pyridinyl)methyl]piperidin-1-yl]-2-(trifluoromethyl)pyridine-3-carbonitrile
CID 169872588

Frequently Asked Questions

What is the IUPAC name of 3-[4-(hydroxymethyl)-2-pyridinyl]-5-methylbenzene-2-ide-1-carbonitrile;2-[3-isocyano-5-(trifluoromethyl)benzene-2-id-1-yl]-4-methoxypyridine;platinum(2+)?
The IUPAC name of 3-[4-(hydroxymethyl)-2-pyridinyl]-5-methylbenzene-2-ide-1-carbonitrile;2-[3-isocyano-5-(trifluoromethyl)benzene-2-id-1-yl]-4-methoxypyridine;platinum(2+) (CID 58401686) is 3-[4-(hydroxymethyl)-2-pyridinyl]-5-methylbenzene-2-ide-1-carbonitrile;2-[3-isocyano-5-(trifluoromethyl)benzene-2-id-1-yl]-4-methoxypyridine;platinum(2+).
What is the SMILES notation for 3-[4-(hydroxymethyl)-2-pyridinyl]-5-methylbenzene-2-ide-1-carbonitrile;2-[3-isocyano-5-(trifluoromethyl)benzene-2-id-1-yl]-4-methoxypyridine;platinum(2+)?
The canonical SMILES for 3-[4-(hydroxymethyl)-2-pyridinyl]-5-methylbenzene-2-ide-1-carbonitrile;2-[3-isocyano-5-(trifluoromethyl)benzene-2-id-1-yl]-4-methoxypyridine;platinum(2+) is Cc1cc(C#N)[c-]c(-c2cc(CO)ccn2)c1.[C-]#[N+]c1[c-]c(-c2cc(OC)ccn2)cc(C(F)(F)F)c1.[Pt+2].
What is the InChIKey of 3-[4-(hydroxymethyl)-2-pyridinyl]-5-methylbenzene-2-ide-1-carbonitrile;2-[3-isocyano-5-(trifluoromethyl)benzene-2-id-1-yl]-4-methoxypyridine;platinum(2+)?
The InChIKey is JDNPTCYWTRUVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N2O.C14H11N2O.Pt/c1-18-11-6-9(5-10(7-11)14(15,16)17)13-8-12(20-2)3-4-19-13;1-10-4-12(8-15)6-13(5-10)14-7-11(9-17)2-3-16-14;/h3-5,7-8H,2H3;2-5,7,17H,9H2,1H3;/q2*-1;+2.
What are the key properties of 3-[4-(hydroxymethyl)-2-pyridinyl]-5-methylbenzene-2-ide-1-carbonitrile;2-[3-isocyano-5-(trifluoromethyl)benzene-2-id-1-yl]-4-methoxypyridine;platinum(2+)?
3-[4-(hydroxymethyl)-2-pyridinyl]-5-methylbenzene-2-ide-1-carbonitrile;2-[3-isocyano-5-(trifluoromethyl)benzene-2-id-1-yl]-4-methoxypyridine;platinum(2+) has a molecular weight of 695.56 g/mol, XLogP of 6.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(hydroxymethyl)-2-pyridinyl]-5-methylbenzene-2-ide-1-carbonitrile;2-[3-isocyano-5-(trifluoromethyl)benzene-2-id-1-yl]-4-methoxypyridine;platinum(2+) is sourced from PubChem (CID 58401686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).