methanone;bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+)

C22H16F6N6O2Os-2 — CID 58788798

IUPACmethanone;bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+)
SMILESCc1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.Cc1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.[CH-]=O.[CH-]=O.[Os+2]
InChIInChI=1S/2C10H7F3N3.2CHO.Os/c2*1-6-2-3-14-7(4-6)8-5-9(16-15-8)10(11,12)13;2*1-2;/h2*2-5H,1H3;2*1H;/q4*-1;+2
InChIKeyOLJIAUOUJLNALG-UHFFFAOYSA-N
MW700.63 g/mol
LogP4.31
Rot. Bonds2

About methanone;bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+)

methanone;bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+) (PubChem CID 58788798) has the molecular formula C22H16F6N6O2Os-2 and a molecular weight of 700.63 g/mol. Its IUPAC name is methanone;bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+).

Molecular Properties

Compound Namemethanone;bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+)
PubChem CID58788798
Molecular FormulaC22H16F6N6O2Os-2
Molecular Weight700.63 g/mol
Exact Mass702.09
IUPAC Namemethanone;bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+)
SMILESCc1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.Cc1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.[CH-]=O.[CH-]=O.[Os+2]
InChIInChI=1S/2C10H7F3N3.2CHO.Os/c2*1-6-2-3-14-7(4-6)8-5-9(16-15-8)10(11,12)13;2*1-2;/h2*2-5H,1H3;2*1H;/q4*-1;+2
InChIKeyOLJIAUOUJLNALG-UHFFFAOYSA-N
XLogP4.31
TPSA113.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500700.63
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Bis{mu~2~-3-[3-(2-pyridyl)pyrazol-1-ylmethyl]pyridine-kappa^3^N^1^:N^2^,N^3^}disilver(I) bis(trifluoromethanesulfonate)
CID 139060498
Bis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);platinum(2+)
CID 139127932
Platinum(2+);pyrazol-1-ide;2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 139131682
3,5-Bis(trifluoromethyl)pyrazol-1-ide;platinum(2+);2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 139131685
Bis(2-[5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-id-3-yl]pyridine);platinum(2+)
CID 139138252
Bis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);iron(2+);oxolane
CID 139139614
Bis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);nickel(2+);oxolane
CID 139139981
Bis(platinum(2+));propan-2-one;bis(pyrazol-1-ide);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 139141460
4-[2,6-Di(propan-2-yl)phenyl]-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline;4-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)pyrazol-1-id-3-yl]isoquinoline;platinum(2+)
CID 139165520
Bis(4-[2,6-di(propan-2-yl)phenyl]-2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine);ethyl acetate;platinum(2+)
CID 168338734
Bis(5-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);platinum(2+)
CID 168338735
Bis(dichloromethane);platinum(2+);3-(trifluoromethyl)-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide;4-(2,4,6-trimethylphenyl)-2-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine
CID 168338993

Frequently Asked Questions

What is the IUPAC name of methanone;bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+)?
The IUPAC name of methanone;bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+) (CID 58788798) is methanone;bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+).
What is the SMILES notation for methanone;bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+)?
The canonical SMILES for methanone;bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+) is Cc1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.Cc1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.[CH-]=O.[CH-]=O.[Os+2].
What is the InChIKey of methanone;bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+)?
The InChIKey is OLJIAUOUJLNALG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H7F3N3.2CHO.Os/c2*1-6-2-3-14-7(4-6)8-5-9(16-15-8)10(11,12)13;2*1-2;/h2*2-5H,1H3;2*1H;/q4*-1;+2.
What are the key properties of methanone;bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+)?
methanone;bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+) has a molecular weight of 700.63 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methanone;bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+) is sourced from PubChem (CID 58788798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).