[2-(2-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;platinum

C17H11F7NO3Pt- — CID 58401375

IUPAC[2-(2-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;platinum
SMILESO=C(/C=C(\O)C(F)(F)F)C(F)(F)F.OCc1ccnc(-c2[c-]cccc2F)c1.[Pt]
InChIInChI=1S/C12H9FNO.C5H2F6O2.Pt/c13-11-4-2-1-3-10(11)12-7-9(8-15)5-6-14-12;6-4(7,8)2(12)1-3(13)5(9,10)11;/h1-2,4-7,15H,8H2;1,12H;/q-1;;/b;2-1-;
InChIKeyADYNBMZZMUGJCS-FJOGWHKWSA-N
MW605.34 g/mol
LogP4.30
Rot. Bonds3

About [2-(2-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;platinum

[2-(2-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;platinum (PubChem CID 58401375) has the molecular formula C17H11F7NO3Pt- and a molecular weight of 605.34 g/mol. Its IUPAC name is [2-(2-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;platinum.

Molecular Properties

Compound Name[2-(2-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;platinum
PubChem CID58401375
Molecular FormulaC17H11F7NO3Pt-
Molecular Weight605.34 g/mol
Exact Mass605.03
IUPAC Name[2-(2-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;platinum
SMILESO=C(/C=C(\O)C(F)(F)F)C(F)(F)F.OCc1ccnc(-c2[c-]cccc2F)c1.[Pt]
InChIInChI=1S/C12H9FNO.C5H2F6O2.Pt/c13-11-4-2-1-3-10(11)12-7-9(8-15)5-6-14-12;6-4(7,8)2(12)1-3(13)5(9,10)11;/h1-2,4-7,15H,8H2;1,12H;/q-1;;/b;2-1-;
InChIKeyADYNBMZZMUGJCS-FJOGWHKWSA-N
XLogP4.30
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500605.34
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(6-(Trifluoromethyl)pyridin-3-yl)ethanol
CID 49760380
(Z)-4,4,5,5,5-pentafluoro-1-hydroxy-1-(6-methyl-3-pyridinyl)pent-1-en-3-one
CID 162643912
(Z)-4,4,5,5,5-pentafluoro-1-hydroxy-1-pyridin-4-ylpent-1-en-3-one
CID 162675439
2-(Trifluoromethyl)-4-pyridinemethanol
CID 10374971
2-(Hydroxymethyl)-4-(trifluoromethyl)pyridine
CID 14761459
[3-Fluoro-2-(trifluoromethyl)pyridin-4-yl]methanol
CID 68283421
3-Pyridinemethanol, alpha-methyl-6-(trifluoromethyl)-, (alphaR)-
CID 96532185
2-(5-Trifluoromethyl-2-pyridinyl)phenylmethanol
CID 129856761
(E)-1-(2,3-difluorophenyl)-2-pyridin-2-ylethenol
CID 137298652
(E)-1-(2,6-difluorophenyl)-2-pyridin-2-ylethenol
CID 137298653
(E)-1-(2,4-difluorophenyl)-2-pyridin-2-ylethenol
CID 137298659
(E)-1-(2,5-difluorophenyl)-2-pyridin-2-ylethenol
CID 137298663

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;platinum?
The IUPAC name of [2-(2-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;platinum (CID 58401375) is [2-(2-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;platinum.
What is the SMILES notation for [2-(2-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;platinum?
The canonical SMILES for [2-(2-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;platinum is O=C(/C=C(\O)C(F)(F)F)C(F)(F)F.OCc1ccnc(-c2[c-]cccc2F)c1.[Pt].
What is the InChIKey of [2-(2-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;platinum?
The InChIKey is ADYNBMZZMUGJCS-FJOGWHKWSA-N. The full InChI is InChI=1S/C12H9FNO.C5H2F6O2.Pt/c13-11-4-2-1-3-10(11)12-7-9(8-15)5-6-14-12;6-4(7,8)2(12)1-3(13)5(9,10)11;/h1-2,4-7,15H,8H2;1,12H;/q-1;;/b;2-1-;.
What are the key properties of [2-(2-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;platinum?
[2-(2-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;platinum has a molecular weight of 605.34 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;platinum is sourced from PubChem (CID 58401375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).