cobalt(2+);3-deuterio-2-pyridin-2-ylpyridine;diacetate

C14H14CoN2O4 — CID 175778611

IUPACcobalt(2+);3-deuterio-2-pyridin-2-ylpyridine;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].[2H]c1cccnc1-c1ccccn1.[Co+2]
InChIInChI=1S/C10H8N2.2C2H4O2.Co/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2(3)4;/h1-8H;2*1H3,(H,3,4);/q;;;+2/p-2/i5D;;;
InChIKeyBWAPRKDNRGCMOZ-IOAHNIEDSA-L
MW334.22 g/mol
LogP-0.35
Rot. Bonds1

About cobalt(2+);3-deuterio-2-pyridin-2-ylpyridine;diacetate

cobalt(2+);3-deuterio-2-pyridin-2-ylpyridine;diacetate (PubChem CID 175778611) has the molecular formula C14H14CoN2O4 and a molecular weight of 334.22 g/mol. Its IUPAC name is cobalt(2+);3-deuterio-2-pyridin-2-ylpyridine;diacetate.

Molecular Properties

Compound Namecobalt(2+);3-deuterio-2-pyridin-2-ylpyridine;diacetate
PubChem CID175778611
Molecular FormulaC14H14CoN2O4
Molecular Weight334.22 g/mol
Exact Mass334.03
IUPAC Namecobalt(2+);3-deuterio-2-pyridin-2-ylpyridine;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].[2H]c1cccnc1-c1ccccn1.[Co+2]
InChIInChI=1S/C10H8N2.2C2H4O2.Co/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2(3)4;/h1-8H;2*1H3,(H,3,4);/q;;;+2/p-2/i5D;;;
InChIKeyBWAPRKDNRGCMOZ-IOAHNIEDSA-L
XLogP-0.35
TPSA106.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

copper;2,6-dipyridin-2-ylpyridine;diacetate;hydrate
CID 139207056
dicopper;tetrakis(2-iodoacetate);bis(2-pyridin-2-ylpyridine);dihydrate
CID 139070149
calcium;3-acetylpentane-2,4-dione;hydride;2-pyridin-2-ylpyridine
CID 173092020
2-phenylpyridine;propan-2-one
CID 174845023
dioxidanium;bis((Z)-but-2-enedioate);nickel;tetrakis(2-pyridin-2-ylpyridine);tridecahydrate
CID 139075709
cobalt;ethane;tris(2-pyridin-2-ylpyridine)
CID 161013986
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);3-deuterio-2-pyridin-2-ylpyridine;diacetate?
The IUPAC name of cobalt(2+);3-deuterio-2-pyridin-2-ylpyridine;diacetate (CID 175778611) is cobalt(2+);3-deuterio-2-pyridin-2-ylpyridine;diacetate.
What is the SMILES notation for cobalt(2+);3-deuterio-2-pyridin-2-ylpyridine;diacetate?
The canonical SMILES for cobalt(2+);3-deuterio-2-pyridin-2-ylpyridine;diacetate is CC(=O)[O-].CC(=O)[O-].[2H]c1cccnc1-c1ccccn1.[Co+2].
What is the InChIKey of cobalt(2+);3-deuterio-2-pyridin-2-ylpyridine;diacetate?
The InChIKey is BWAPRKDNRGCMOZ-IOAHNIEDSA-L. The full InChI is InChI=1S/C10H8N2.2C2H4O2.Co/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2(3)4;/h1-8H;2*1H3,(H,3,4);/q;;;+2/p-2/i5D;;;.
What are the key properties of cobalt(2+);3-deuterio-2-pyridin-2-ylpyridine;diacetate?
cobalt(2+);3-deuterio-2-pyridin-2-ylpyridine;diacetate has a molecular weight of 334.22 g/mol, XLogP of -0.35, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);3-deuterio-2-pyridin-2-ylpyridine;diacetate is sourced from PubChem (CID 175778611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).