cobalt;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis([2-(4-methoxy-2-pyridinyl)-4-pyridinyl]methanol)

C36H36CoN6O6 — CID 140844102

IUPACcobalt;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis([2-(4-methoxy-2-pyridinyl)-4-pyridinyl]methanol)
SMILESCOc1ccnc(-c2cc(CO)ccn2)c1.COc1ccnc(-c2cc(CO)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1.[Co]
InChIInChI=1S/3C12H12N2O2.Co/c1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;2*1-16-10-3-5-14-12(7-10)11-6-9(8-15)2-4-13-11;/h3-8H,1-2H3;2*2-7,15H,8H2,1H3;
InChIKeyXOTNUZLYDLSKIY-UHFFFAOYSA-N
MW707.65 g/mol
LogP5.45
Rot. Bonds9

About cobalt;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis([2-(4-methoxy-2-pyridinyl)-4-pyridinyl]methanol)

cobalt;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis([2-(4-methoxy-2-pyridinyl)-4-pyridinyl]methanol) (PubChem CID 140844102) has the molecular formula C36H36CoN6O6 and a molecular weight of 707.65 g/mol. Its IUPAC name is cobalt;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis([2-(4-methoxy-2-pyridinyl)-4-pyridinyl]methanol).

Molecular Properties

Compound Namecobalt;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis([2-(4-methoxy-2-pyridinyl)-4-pyridinyl]methanol)
PubChem CID140844102
Molecular FormulaC36H36CoN6O6
Molecular Weight707.65 g/mol
Exact Mass707.20
IUPAC Namecobalt;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis([2-(4-methoxy-2-pyridinyl)-4-pyridinyl]methanol)
SMILESCOc1ccnc(-c2cc(CO)ccn2)c1.COc1ccnc(-c2cc(CO)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1.[Co]
InChIInChI=1S/3C12H12N2O2.Co/c1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;2*1-16-10-3-5-14-12(7-10)11-6-9(8-15)2-4-13-11;/h3-8H,1-2H3;2*2-7,15H,8H2,1H3;
InChIKeyXOTNUZLYDLSKIY-UHFFFAOYSA-N
XLogP5.45
TPSA154.72 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500707.65
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze cobalt;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis([2-(4-methoxy-2-pyridinyl)-4-pyridinyl]methanol) with MolForge

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Related Compounds

2-[4-(3,3-Difluorobutoxymethyl)-2-pyridinyl]-4-(2,2,4,4,4-pentafluorobutoxymethyl)pyridine;[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;ruthenium(2+);diisothiocyanate
CID 58471107
2-[5-(2,2-Difluorobutoxymethyl)-2-pyridinyl]-5-(2,2,4,4,4-pentafluorobutoxymethyl)pyridine;[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;ruthenium(2+);diisothiocyanate
CID 58471109
2-(2,4-Dimethoxybenzene-6-id-1-yl)-4-methoxypyridine;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;[2-[2-(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;tris([2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol);tris(4-hydroxypent-3-en-2-one);bis(iridium);(5-methoxy-2-pyridin-2-ylbenzene-3-id-1-yl)methanol;platinum;platinum(2+)
CID 157314476
Bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);[2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol;iridium
CID 171721160
Bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);2-[2-[2-[[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-4-pyridinyl]oxy]ethoxy]ethoxy]ethanol;iridium
CID 171721161
LZn,HHT-tris{(R)-1-(5-([2,2'-bipyridin]-5-ylmethoxy)pyridin-2-yl)-N-(1-phenylethyl)methanimine}dizinc(II) tetrakis(perchlorate)
CID 75731915
DFe,HHT-tris{(R)-N-(2-([2,2'-bipyridin]-5-ylmethoxy)-1-phenylethyl)-1-(3-benzyloxypyridin-6-yl)methanimine}diiron(II) tetrachloride
CID 75731919
LZn,HHT-tris{(R)-1-(5-([2,2'-bipyridin]-5-ylmethoxy)pyridin-2-yl)-N-(1-[4-methoxyphenyl]ethyl)methanimine}dizinc(II) tetrakis(perchlorate)
CID 75731936
LFe,HHT-tris{(S)-N-(2-([2,2'-bipyridin]-5-ylmethoxy)-1-phenylethyl)-1-(3-benzyloxypyridin-6-yl)methanimine}diiron(II) tetrachloride
CID 75731938
DFe,HHT-tris{(S)-1-(5-([2,2'-bipyridin]-5-ylmethoxy)pyridin-2-yl)-N-(1-phenylethyl)methanimine}diiron(II) tetrachloride
CID 75731941
DZn,HHT-tris{(R)-N-(2-([2,2'-bipyridin]-5-ylmethoxy)-1-phenylethyl)-1-(3-benzyloxypyridin-6-yl)methanimine}dizinc(II) tetrakis(perchlorate)
CID 75731944
DFe,HHT-tris{(S)-1-(5-([2,2'-bipyridin]-5-ylmethoxy)pyridin-2-yl)-N-(1-[4-methoxyphenyl]ethyl)methanimine}diiron(II) tetrachloride
CID 75731949

Frequently Asked Questions

What is the IUPAC name of cobalt;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis([2-(4-methoxy-2-pyridinyl)-4-pyridinyl]methanol)?
The IUPAC name of cobalt;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis([2-(4-methoxy-2-pyridinyl)-4-pyridinyl]methanol) (CID 140844102) is cobalt;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis([2-(4-methoxy-2-pyridinyl)-4-pyridinyl]methanol).
What is the SMILES notation for cobalt;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis([2-(4-methoxy-2-pyridinyl)-4-pyridinyl]methanol)?
The canonical SMILES for cobalt;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis([2-(4-methoxy-2-pyridinyl)-4-pyridinyl]methanol) is COc1ccnc(-c2cc(CO)ccn2)c1.COc1ccnc(-c2cc(CO)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1.[Co].
What is the InChIKey of cobalt;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis([2-(4-methoxy-2-pyridinyl)-4-pyridinyl]methanol)?
The InChIKey is XOTNUZLYDLSKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H12N2O2.Co/c1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12;2*1-16-10-3-5-14-12(7-10)11-6-9(8-15)2-4-13-11;/h3-8H,1-2H3;2*2-7,15H,8H2,1H3;.
What are the key properties of cobalt;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis([2-(4-methoxy-2-pyridinyl)-4-pyridinyl]methanol)?
cobalt;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis([2-(4-methoxy-2-pyridinyl)-4-pyridinyl]methanol) has a molecular weight of 707.65 g/mol, XLogP of 5.45, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis([2-(4-methoxy-2-pyridinyl)-4-pyridinyl]methanol) is sourced from PubChem (CID 140844102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).