acetonitrile;2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;copper(1+)

C13H8CuF6N3 — CID 139136042

IUPACacetonitrile;2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;copper(1+)
SMILESCC#N.FC(F)(F)c1cc(C(F)(F)F)c(-c2ccccn2)[n-]1.[Cu+]
InChIInChI=1S/C11H5F6N2.C2H3N.Cu/c12-10(13,14)6-5-8(11(15,16)17)19-9(6)7-3-1-2-4-18-7;1-2-3;/h1-5H;1H3;/q-1;;+1
InChIKeyDIELBFWUMDMRHL-UHFFFAOYSA-N
MW383.76 g/mol
LogP4.27
Rot. Bonds1

About acetonitrile;2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;copper(1+)

acetonitrile;2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;copper(1+) (PubChem CID 139136042) has the molecular formula C13H8CuF6N3 and a molecular weight of 383.76 g/mol. Its IUPAC name is acetonitrile;2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;copper(1+).

Molecular Properties

Compound Nameacetonitrile;2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;copper(1+)
PubChem CID139136042
Molecular FormulaC13H8CuF6N3
Molecular Weight383.76 g/mol
Exact Mass382.99
IUPAC Nameacetonitrile;2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;copper(1+)
SMILESCC#N.FC(F)(F)c1cc(C(F)(F)F)c(-c2ccccn2)[n-]1.[Cu+]
InChIInChI=1S/C11H5F6N2.C2H3N.Cu/c12-10(13,14)6-5-8(11(15,16)17)19-9(6)7-3-1-2-4-18-7;1-2-3;/h1-5H;1H3;/q-1;;+1
InChIKeyDIELBFWUMDMRHL-UHFFFAOYSA-N
XLogP4.27
TPSA50.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.76
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze acetonitrile;2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;copper(1+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Mls000104384
CID 778626
2-Methyl-1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 11842228
1,6-Dimethyl-2-phenyl-4,5-dihydro-3a,5a-diaza-as-indacene
CID 778625
4-(2,4-Difluorophenyl)-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene
CID 5233210
8-Methyl-2-phenyl-5,6-dihydrodipyrrolo[1,2-a:2',1'-c]pyrazine
CID 772855
9H-Pyrrolo[1,2-a]indole
CID 15559290
1-Pyridin-4-yl-3,4-dihydropyrrolo[1,2-a]pyrazine
CID 172451689
2-[3-(2,5-Dimethylpyrrol-1-yl)propyl]-5-(trifluoromethyl)pyridine
CID 176434287
2,2'-Bipyridine, 4,4'-bis(trifluoromethyl)-
CID 12058766
4,4'-Bis(4,4,4-trifluorobutyl)-2,2'-bipyridine
CID 16063249
2-(Trifluoromethyl)indolizine
CID 45790702
2-(2-Pyridyl)-3,5-bis(trifluoromethyl)-1H-pyrrole
CID 59729606

Frequently Asked Questions

What is the IUPAC name of acetonitrile;2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;copper(1+)?
The IUPAC name of acetonitrile;2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;copper(1+) (CID 139136042) is acetonitrile;2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;copper(1+).
What is the SMILES notation for acetonitrile;2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;copper(1+)?
The canonical SMILES for acetonitrile;2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;copper(1+) is CC#N.FC(F)(F)c1cc(C(F)(F)F)c(-c2ccccn2)[n-]1.[Cu+].
What is the InChIKey of acetonitrile;2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;copper(1+)?
The InChIKey is DIELBFWUMDMRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F6N2.C2H3N.Cu/c12-10(13,14)6-5-8(11(15,16)17)19-9(6)7-3-1-2-4-18-7;1-2-3;/h1-5H;1H3;/q-1;;+1.
What are the key properties of acetonitrile;2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;copper(1+)?
acetonitrile;2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;copper(1+) has a molecular weight of 383.76 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;copper(1+) is sourced from PubChem (CID 139136042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).