copper;4-(2,4-dihydroxypentan-3-yl)-3,5-difluoropyridine-2,6-dicarbonitrile

C12H11CuF2N3O2 — CID 169008909

IUPACcopper;4-(2,4-dihydroxypentan-3-yl)-3,5-difluoropyridine-2,6-dicarbonitrile
SMILESCC(O)C(c1c(F)c(C#N)nc(C#N)c1F)C(C)O.[Cu]
InChIInChI=1S/C12H11F2N3O2.Cu/c1-5(18)9(6(2)19)10-11(13)7(3-15)17-8(4-16)12(10)14;/h5-6,9,18-19H,1-2H3;
InChIKeyILVOTSLHPCSPBQ-UHFFFAOYSA-N
MW330.78 g/mol
LogP0.95
Rot. Bonds3

About copper;4-(2,4-dihydroxypentan-3-yl)-3,5-difluoropyridine-2,6-dicarbonitrile

copper;4-(2,4-dihydroxypentan-3-yl)-3,5-difluoropyridine-2,6-dicarbonitrile (PubChem CID 169008909) has the molecular formula C12H11CuF2N3O2 and a molecular weight of 330.78 g/mol. Its IUPAC name is copper;4-(2,4-dihydroxypentan-3-yl)-3,5-difluoropyridine-2,6-dicarbonitrile.

Molecular Properties

Compound Namecopper;4-(2,4-dihydroxypentan-3-yl)-3,5-difluoropyridine-2,6-dicarbonitrile
PubChem CID169008909
Molecular FormulaC12H11CuF2N3O2
Molecular Weight330.78 g/mol
Exact Mass330.01
IUPAC Namecopper;4-(2,4-dihydroxypentan-3-yl)-3,5-difluoropyridine-2,6-dicarbonitrile
SMILESCC(O)C(c1c(F)c(C#N)nc(C#N)c1F)C(C)O.[Cu]
InChIInChI=1S/C12H11F2N3O2.Cu/c1-5(18)9(6(2)19)10-11(13)7(3-15)17-8(4-16)12(10)14;/h5-6,9,18-19H,1-2H3;
InChIKeyILVOTSLHPCSPBQ-UHFFFAOYSA-N
XLogP0.95
TPSA100.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of copper;4-(2,4-dihydroxypentan-3-yl)-3,5-difluoropyridine-2,6-dicarbonitrile?
The IUPAC name of copper;4-(2,4-dihydroxypentan-3-yl)-3,5-difluoropyridine-2,6-dicarbonitrile (CID 169008909) is copper;4-(2,4-dihydroxypentan-3-yl)-3,5-difluoropyridine-2,6-dicarbonitrile.
What is the SMILES notation for copper;4-(2,4-dihydroxypentan-3-yl)-3,5-difluoropyridine-2,6-dicarbonitrile?
The canonical SMILES for copper;4-(2,4-dihydroxypentan-3-yl)-3,5-difluoropyridine-2,6-dicarbonitrile is CC(O)C(c1c(F)c(C#N)nc(C#N)c1F)C(C)O.[Cu].
What is the InChIKey of copper;4-(2,4-dihydroxypentan-3-yl)-3,5-difluoropyridine-2,6-dicarbonitrile?
The InChIKey is ILVOTSLHPCSPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O2.Cu/c1-5(18)9(6(2)19)10-11(13)7(3-15)17-8(4-16)12(10)14;/h5-6,9,18-19H,1-2H3;.
What are the key properties of copper;4-(2,4-dihydroxypentan-3-yl)-3,5-difluoropyridine-2,6-dicarbonitrile?
copper;4-(2,4-dihydroxypentan-3-yl)-3,5-difluoropyridine-2,6-dicarbonitrile has a molecular weight of 330.78 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for copper;4-(2,4-dihydroxypentan-3-yl)-3,5-difluoropyridine-2,6-dicarbonitrile is sourced from PubChem (CID 169008909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).