chloroplatinum(1+);4-methoxy-2-[3-(4-methoxy-2-pyridinyl)-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine

C19H14ClF3N2O2Pt — CID 21024872

IUPACchloroplatinum(1+);4-methoxy-2-[3-(4-methoxy-2-pyridinyl)-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine
SMILESCOc1ccnc(-c2[c-]c(-c3cc(OC)ccn3)cc(C(F)(F)F)c2)c1.Cl[Pt+]
InChIInChI=1S/C19H14F3N2O2.ClH.Pt/c1-25-15-3-5-23-17(10-15)12-7-13(9-14(8-12)19(20,21)22)18-11-16(26-2)4-6-24-18;;/h3-6,8-11H,1-2H3;1H;/q-1;;+2/p-1
InChIKeyWYMTYVVALJCJAW-UHFFFAOYSA-M
MW589.86 g/mol
LogP5.33
Rot. Bonds4

About chloroplatinum(1+);4-methoxy-2-[3-(4-methoxy-2-pyridinyl)-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine

chloroplatinum(1+);4-methoxy-2-[3-(4-methoxy-2-pyridinyl)-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine (PubChem CID 21024872) has the molecular formula C19H14ClF3N2O2Pt and a molecular weight of 589.86 g/mol. Its IUPAC name is chloroplatinum(1+);4-methoxy-2-[3-(4-methoxy-2-pyridinyl)-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine.

Molecular Properties

Compound Namechloroplatinum(1+);4-methoxy-2-[3-(4-methoxy-2-pyridinyl)-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine
PubChem CID21024872
Molecular FormulaC19H14ClF3N2O2Pt
Molecular Weight589.86 g/mol
Exact Mass589.03
IUPAC Namechloroplatinum(1+);4-methoxy-2-[3-(4-methoxy-2-pyridinyl)-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine
SMILESCOc1ccnc(-c2[c-]c(-c3cc(OC)ccn3)cc(C(F)(F)F)c2)c1.Cl[Pt+]
InChIInChI=1S/C19H14F3N2O2.ClH.Pt/c1-25-15-3-5-23-17(10-15)12-7-13(9-14(8-12)19(20,21)22)18-11-16(26-2)4-6-24-18;;/h3-6,8-11H,1-2H3;1H;/q-1;;+2/p-1
InChIKeyWYMTYVVALJCJAW-UHFFFAOYSA-M
XLogP5.33
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.86
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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
Acetic acid;1,3-bis(trifluoromethyl)benzene-2-ide;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;nickel
CID 176431492
2-[3,4-Bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;iridium
CID 20807361
2-[4,5-Bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;iridium
CID 20807364
2-(2,4-Difluorobenzene-6-id-1-yl)-4-methoxypyridine;iridium;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide
CID 20807368
2-(2,4-Difluorobenzene-6-id-1-yl)-4-methoxypyridine;iridium;pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide
CID 20807369
2-(4-Fluorobenzene-6-id-1-yl)-4-methoxypyridine;iridium;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide
CID 20807379
2-(4-Fluorobenzene-6-id-1-yl)-4-methoxypyridine;iridium;pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide
CID 20807380
2-(2,4-dimethoxybenzene-6-id-1-yl)-4-methoxypyridine;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;platinum
CID 57872520
Bis(4-methoxy-2-[5-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine);platinum(2+)
CID 57872626
(Z)-4-hydroxypent-3-en-2-one;4-methoxy-2-[3-phenyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;platinum
CID 57872740
2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methoxypyridine;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;platinum
CID 57872769

Frequently Asked Questions

What is the IUPAC name of chloroplatinum(1+);4-methoxy-2-[3-(4-methoxy-2-pyridinyl)-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine?
The IUPAC name of chloroplatinum(1+);4-methoxy-2-[3-(4-methoxy-2-pyridinyl)-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine (CID 21024872) is chloroplatinum(1+);4-methoxy-2-[3-(4-methoxy-2-pyridinyl)-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine.
What is the SMILES notation for chloroplatinum(1+);4-methoxy-2-[3-(4-methoxy-2-pyridinyl)-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine?
The canonical SMILES for chloroplatinum(1+);4-methoxy-2-[3-(4-methoxy-2-pyridinyl)-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine is COc1ccnc(-c2[c-]c(-c3cc(OC)ccn3)cc(C(F)(F)F)c2)c1.Cl[Pt+].
What is the InChIKey of chloroplatinum(1+);4-methoxy-2-[3-(4-methoxy-2-pyridinyl)-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine?
The InChIKey is WYMTYVVALJCJAW-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H14F3N2O2.ClH.Pt/c1-25-15-3-5-23-17(10-15)12-7-13(9-14(8-12)19(20,21)22)18-11-16(26-2)4-6-24-18;;/h3-6,8-11H,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of chloroplatinum(1+);4-methoxy-2-[3-(4-methoxy-2-pyridinyl)-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine?
chloroplatinum(1+);4-methoxy-2-[3-(4-methoxy-2-pyridinyl)-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine has a molecular weight of 589.86 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloroplatinum(1+);4-methoxy-2-[3-(4-methoxy-2-pyridinyl)-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine is sourced from PubChem (CID 21024872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).