(2S,4R)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate;(2R,4S)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate;nickel(2+)

C30H34N4NiO4 — CID 139177907

IUPAC(2S,4R)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate;(2R,4S)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate;nickel(2+)
SMILESC[C@](O)(C[C@@](C)([O-])c1ccccn1)c1ccccn1.C[C@]([O-])(C[C@@](C)(O)c1ccccn1)c1ccccn1.[Ni+2]
InChIInChI=1S/2C15H17N2O2.Ni/c2*1-14(18,12-7-3-5-9-16-12)11-15(2,19)13-8-4-6-10-17-13;/h2*3-10,18H,11H2,1-2H3;/q2*-1;+2/t2*14-,15+;/m10./s1
InChIKeyGTGSNYIOWKLXKI-UUCXICLOSA-N
MW573.32 g/mol
LogP2.70
Rot. Bonds8

About (2S,4R)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate;(2R,4S)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate;nickel(2+)

(2S,4R)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate;(2R,4S)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate;nickel(2+) (PubChem CID 139177907) has the molecular formula C30H34N4NiO4 and a molecular weight of 573.32 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate;(2R,4S)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate;nickel(2+).

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate;(2R,4S)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate;nickel(2+)
PubChem CID139177907
Molecular FormulaC30H34N4NiO4
Molecular Weight573.32 g/mol
Exact Mass572.19
IUPAC Name(2S,4R)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate;(2R,4S)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate;nickel(2+)
SMILESC[C@](O)(C[C@@](C)([O-])c1ccccn1)c1ccccn1.C[C@]([O-])(C[C@@](C)(O)c1ccccn1)c1ccccn1.[Ni+2]
InChIInChI=1S/2C15H17N2O2.Ni/c2*1-14(18,12-7-3-5-9-16-12)11-15(2,19)13-8-4-6-10-17-13;/h2*3-10,18H,11H2,1-2H3;/q2*-1;+2/t2*14-,15+;/m10./s1
InChIKeyGTGSNYIOWKLXKI-UUCXICLOSA-N
XLogP2.70
TPSA138.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.32
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2S,4R)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate;(2R,4S)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate;nickel(2+) with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate;(2R,4S)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate;nickel(2+)?
The IUPAC name of (2S,4R)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate;(2R,4S)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate;nickel(2+) (CID 139177907) is (2S,4R)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate;(2R,4S)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate;nickel(2+).
What is the SMILES notation for (2S,4R)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate;(2R,4S)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate;nickel(2+)?
The canonical SMILES for (2S,4R)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate;(2R,4S)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate;nickel(2+) is C[C@](O)(C[C@@](C)([O-])c1ccccn1)c1ccccn1.C[C@]([O-])(C[C@@](C)(O)c1ccccn1)c1ccccn1.[Ni+2].
What is the InChIKey of (2S,4R)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate;(2R,4S)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate;nickel(2+)?
The InChIKey is GTGSNYIOWKLXKI-UUCXICLOSA-N. The full InChI is InChI=1S/2C15H17N2O2.Ni/c2*1-14(18,12-7-3-5-9-16-12)11-15(2,19)13-8-4-6-10-17-13;/h2*3-10,18H,11H2,1-2H3;/q2*-1;+2/t2*14-,15+;/m10./s1.
What are the key properties of (2S,4R)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate;(2R,4S)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate;nickel(2+)?
(2S,4R)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate;(2R,4S)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate;nickel(2+) has a molecular weight of 573.32 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate;(2R,4S)-4-hydroxy-2,4-dipyridin-2-ylpentan-2-olate;nickel(2+) is sourced from PubChem (CID 139177907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).