2-[[6-[2,4-difluoro-5-pyridin-2-yl-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]methyl]phenol;platinum

C24H14F5N2OPt- — CID 58004397

IUPAC2-[[6-[2,4-difluoro-5-pyridin-2-yl-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]methyl]phenol;platinum
SMILESOc1ccccc1Cc1cccc(-c2[c-]c(-c3ccccn3)c(F)c(C(F)(F)F)c2F)n1.[Pt]
InChIInChI=1S/C24H14F5N2O.Pt/c25-22-16(18-8-3-4-11-30-18)13-17(23(26)21(22)24(27,28)29)19-9-5-7-15(31-19)12-14-6-1-2-10-20(14)32;/h1-11,32H,12H2;/q-1;
InChIKeyBQIONFLJNDEFEW-UHFFFAOYSA-N
MW636.46 g/mol
LogP6.20
Rot. Bonds4

About 2-[[6-[2,4-difluoro-5-pyridin-2-yl-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]methyl]phenol;platinum

2-[[6-[2,4-difluoro-5-pyridin-2-yl-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]methyl]phenol;platinum (PubChem CID 58004397) has the molecular formula C24H14F5N2OPt- and a molecular weight of 636.46 g/mol. Its IUPAC name is 2-[[6-[2,4-difluoro-5-pyridin-2-yl-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]methyl]phenol;platinum.

Molecular Properties

Compound Name2-[[6-[2,4-difluoro-5-pyridin-2-yl-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]methyl]phenol;platinum
PubChem CID58004397
Molecular FormulaC24H14F5N2OPt-
Molecular Weight636.46 g/mol
Exact Mass636.07
IUPAC Name2-[[6-[2,4-difluoro-5-pyridin-2-yl-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]methyl]phenol;platinum
SMILESOc1ccccc1Cc1cccc(-c2[c-]c(-c3ccccn3)c(F)c(C(F)(F)F)c2F)n1.[Pt]
InChIInChI=1S/C24H14F5N2O.Pt/c25-22-16(18-8-3-4-11-30-18)13-17(23(26)21(22)24(27,28)29)19-9-5-7-15(31-19)12-14-6-1-2-10-20(14)32;/h1-11,32H,12H2;/q-1;
InChIKeyBQIONFLJNDEFEW-UHFFFAOYSA-N
XLogP6.20
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.46
LogP ≤ 56.20
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

6-([2,2'-Bipyridin]-6(1H)-ylidene)cyclohexa-2,4-dien-1-one
CID 135961678
2-[[1-(2-Fluorophenyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl]methyl]phenol
CID 46032557
2-{[1-(3-Fluorophenyl)-1H,2H,3H,4H,5H-pyrrolo[1,2-A][1,4]diazepin-2-YL]methyl}phenol
CID 46032726
2-({1-[3-(Trifluoromethyl)phenyl]-1H,2H,3H,4H,5H-pyrrolo[1,2-A][1,4]diazepin-2-YL}methyl)phenol
CID 46036913
Platinum;2-[[3-(6-pyridin-2-yl-2-pyridinyl)-5-[2,4,6-tris(trifluoromethyl)phenyl]benzene-2-id-1-yl]methyl]phenol
CID 58004339
2-[[3-[4-Methyl-2,6-bis(trifluoromethyl)phenyl]-5-(6-pyridin-2-yl-2-pyridinyl)benzene-6-id-1-yl]methyl]phenol;platinum
CID 58620926
2-(4-Fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;iridium;quinolin-8-ol
CID 58722476
2-(4-Fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;iridium;2-methylquinolin-8-ol
CID 58722477
2-[[6-[6-[2,4-Difluoro-3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]-2-pyridinyl]methyl]phenol;platinum
CID 59342302
2-Fluoro-6-[6-[5-(3-fluoro-2-hydroxyphenyl)-2-pyridinyl]-3-pyridinyl]phenol
CID 136020018
4-Fluoro-2-[6-[5-(5-fluoro-2-hydroxyphenyl)-2-pyridinyl]-3-pyridinyl]phenol
CID 136136503
5-fluoro-2-[(E)-2-(6-pyridin-2-yl-3-pyridinyl)ethenyl]phenol
CID 142200198

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[2,4-difluoro-5-pyridin-2-yl-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]methyl]phenol;platinum?
The IUPAC name of 2-[[6-[2,4-difluoro-5-pyridin-2-yl-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]methyl]phenol;platinum (CID 58004397) is 2-[[6-[2,4-difluoro-5-pyridin-2-yl-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]methyl]phenol;platinum.
What is the SMILES notation for 2-[[6-[2,4-difluoro-5-pyridin-2-yl-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]methyl]phenol;platinum?
The canonical SMILES for 2-[[6-[2,4-difluoro-5-pyridin-2-yl-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]methyl]phenol;platinum is Oc1ccccc1Cc1cccc(-c2[c-]c(-c3ccccn3)c(F)c(C(F)(F)F)c2F)n1.[Pt].
What is the InChIKey of 2-[[6-[2,4-difluoro-5-pyridin-2-yl-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]methyl]phenol;platinum?
The InChIKey is BQIONFLJNDEFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F5N2O.Pt/c25-22-16(18-8-3-4-11-30-18)13-17(23(26)21(22)24(27,28)29)19-9-5-7-15(31-19)12-14-6-1-2-10-20(14)32;/h1-11,32H,12H2;/q-1;.
What are the key properties of 2-[[6-[2,4-difluoro-5-pyridin-2-yl-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]methyl]phenol;platinum?
2-[[6-[2,4-difluoro-5-pyridin-2-yl-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]methyl]phenol;platinum has a molecular weight of 636.46 g/mol, XLogP of 6.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[2,4-difluoro-5-pyridin-2-yl-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]methyl]phenol;platinum is sourced from PubChem (CID 58004397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).