copper;bis(2-(4-bromophenyl)acetate);bis(N,N-dimethylpyridin-4-amine);dihydrate

C30H36Br2CuN4O6 — CID 139077388

IUPACcopper;bis(2-(4-bromophenyl)acetate);bis(N,N-dimethylpyridin-4-amine);dihydrate
SMILESCN(C)c1ccncc1.CN(C)c1ccncc1.O.O.O=C([O-])Cc1ccc(Br)cc1.O=C([O-])Cc1ccc(Br)cc1.[Cu+2]
InChIInChI=1S/2C8H7BrO2.2C7H10N2.Cu.2H2O/c2*9-7-3-1-6(2-4-7)5-8(10)11;2*1-9(2)7-3-5-8-6-4-7;;;/h2*1-4H,5H2,(H,10,11);2*3-6H,1-2H3;;2*1H2/q;;;;+2;;/p-2
InChIKeyAMNUMHIBBWGCHK-UHFFFAOYSA-L
MW771.99 g/mol
LogP2.13
Rot. Bonds6

About copper;bis(2-(4-bromophenyl)acetate);bis(N,N-dimethylpyridin-4-amine);dihydrate

copper;bis(2-(4-bromophenyl)acetate);bis(N,N-dimethylpyridin-4-amine);dihydrate (PubChem CID 139077388) has the molecular formula C30H36Br2CuN4O6 and a molecular weight of 771.99 g/mol. Its IUPAC name is copper;bis(2-(4-bromophenyl)acetate);bis(N,N-dimethylpyridin-4-amine);dihydrate.

Molecular Properties

Compound Namecopper;bis(2-(4-bromophenyl)acetate);bis(N,N-dimethylpyridin-4-amine);dihydrate
PubChem CID139077388
Molecular FormulaC30H36Br2CuN4O6
Molecular Weight771.99 g/mol
Exact Mass769.03
IUPAC Namecopper;bis(2-(4-bromophenyl)acetate);bis(N,N-dimethylpyridin-4-amine);dihydrate
SMILESCN(C)c1ccncc1.CN(C)c1ccncc1.O.O.O=C([O-])Cc1ccc(Br)cc1.O=C([O-])Cc1ccc(Br)cc1.[Cu+2]
InChIInChI=1S/2C8H7BrO2.2C7H10N2.Cu.2H2O/c2*9-7-3-1-6(2-4-7)5-8(10)11;2*1-9(2)7-3-5-8-6-4-7;;;/h2*1-4H,5H2,(H,10,11);2*3-6H,1-2H3;;2*1H2/q;;;;+2;;/p-2
InChIKeyAMNUMHIBBWGCHK-UHFFFAOYSA-L
XLogP2.13
TPSA175.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500771.99
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N,N-dimethylpyridin-4-amine
CID 14284
carbonochloridic acid;N,N-dimethylpyridin-4-amine
CID 172753454
tris(N,N-dimethylpyridin-4-amine);trihydrobromide
CID 68567794
N,N-dimethylpyridin-4-amine;terbium
CID 21052224
zinc;N,N-dimethylpyridin-4-amine;dichloride
CID 175706220
zinc;N,N-dimethylpyridin-4-amine;bis((Z)-4-oxopent-2-en-2-olate)
CID 139185110
2-(4-bromophenyl)-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]acetamide
CID 78806526
2-(4-bromophenyl)-1-[3-(dimethylamino)phenyl]ethanone
CID 105078998
lithium;N,N-dimethylpyridin-4-amine;hydroxide
CID 174914031
N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560794
N,N-dimethylpyridin-4-amine;triethylborane
CID 159448886
3-(4-bromophenyl)-2-oxopropanoic acid
CID 598758

Frequently Asked Questions

What is the IUPAC name of copper;bis(2-(4-bromophenyl)acetate);bis(N,N-dimethylpyridin-4-amine);dihydrate?
The IUPAC name of copper;bis(2-(4-bromophenyl)acetate);bis(N,N-dimethylpyridin-4-amine);dihydrate (CID 139077388) is copper;bis(2-(4-bromophenyl)acetate);bis(N,N-dimethylpyridin-4-amine);dihydrate.
What is the SMILES notation for copper;bis(2-(4-bromophenyl)acetate);bis(N,N-dimethylpyridin-4-amine);dihydrate?
The canonical SMILES for copper;bis(2-(4-bromophenyl)acetate);bis(N,N-dimethylpyridin-4-amine);dihydrate is CN(C)c1ccncc1.CN(C)c1ccncc1.O.O.O=C([O-])Cc1ccc(Br)cc1.O=C([O-])Cc1ccc(Br)cc1.[Cu+2].
What is the InChIKey of copper;bis(2-(4-bromophenyl)acetate);bis(N,N-dimethylpyridin-4-amine);dihydrate?
The InChIKey is AMNUMHIBBWGCHK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H7BrO2.2C7H10N2.Cu.2H2O/c2*9-7-3-1-6(2-4-7)5-8(10)11;2*1-9(2)7-3-5-8-6-4-7;;;/h2*1-4H,5H2,(H,10,11);2*3-6H,1-2H3;;2*1H2/q;;;;+2;;/p-2.
What are the key properties of copper;bis(2-(4-bromophenyl)acetate);bis(N,N-dimethylpyridin-4-amine);dihydrate?
copper;bis(2-(4-bromophenyl)acetate);bis(N,N-dimethylpyridin-4-amine);dihydrate has a molecular weight of 771.99 g/mol, XLogP of 2.13, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(2-(4-bromophenyl)acetate);bis(N,N-dimethylpyridin-4-amine);dihydrate is sourced from PubChem (CID 139077388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).