chromium(2+);bis(2-pyridin-2-ylpyridine);diacetate

C24H22CrN4O4 — CID 139139374

IUPACchromium(2+);bis(2-pyridin-2-ylpyridine);diacetate
SMILESCC(=O)[O-].CC(=O)[O-].[Cr+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.2C2H4O2.Cr/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2(3)4;/h2*1-8H;2*1H3,(H,3,4);/q;;;;+2/p-2
InChIKeyPDCPASNANLDVEZ-UHFFFAOYSA-L
MW482.46 g/mol
LogP1.80
Rot. Bonds2

About chromium(2+);bis(2-pyridin-2-ylpyridine);diacetate

chromium(2+);bis(2-pyridin-2-ylpyridine);diacetate (PubChem CID 139139374) has the molecular formula C24H22CrN4O4 and a molecular weight of 482.46 g/mol. Its IUPAC name is chromium(2+);bis(2-pyridin-2-ylpyridine);diacetate.

Molecular Properties

Compound Namechromium(2+);bis(2-pyridin-2-ylpyridine);diacetate
PubChem CID139139374
Molecular FormulaC24H22CrN4O4
Molecular Weight482.46 g/mol
Exact Mass482.10
IUPAC Namechromium(2+);bis(2-pyridin-2-ylpyridine);diacetate
SMILESCC(=O)[O-].CC(=O)[O-].[Cr+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.2C2H4O2.Cr/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2(3)4;/h2*1-8H;2*1H3,(H,3,4);/q;;;;+2/p-2
InChIKeyPDCPASNANLDVEZ-UHFFFAOYSA-L
XLogP1.80
TPSA131.82 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.46
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of chromium(2+);bis(2-pyridin-2-ylpyridine);diacetate?
The IUPAC name of chromium(2+);bis(2-pyridin-2-ylpyridine);diacetate (CID 139139374) is chromium(2+);bis(2-pyridin-2-ylpyridine);diacetate.
What is the SMILES notation for chromium(2+);bis(2-pyridin-2-ylpyridine);diacetate?
The canonical SMILES for chromium(2+);bis(2-pyridin-2-ylpyridine);diacetate is CC(=O)[O-].CC(=O)[O-].[Cr+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of chromium(2+);bis(2-pyridin-2-ylpyridine);diacetate?
The InChIKey is PDCPASNANLDVEZ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H8N2.2C2H4O2.Cr/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2(3)4;/h2*1-8H;2*1H3,(H,3,4);/q;;;;+2/p-2.
What are the key properties of chromium(2+);bis(2-pyridin-2-ylpyridine);diacetate?
chromium(2+);bis(2-pyridin-2-ylpyridine);diacetate has a molecular weight of 482.46 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(2+);bis(2-pyridin-2-ylpyridine);diacetate is sourced from PubChem (CID 139139374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).