bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(4+);tetrakis(pyridine-2-carboxylate)

C48H40N8O8Os — CID 159036084

IUPACbis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(4+);tetrakis(pyridine-2-carboxylate)
SMILESCc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.[Os+4]
InChIInChI=1S/2C12H12N2.4C6H5NO2.Os/c2*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;4*8-6(9)5-3-1-2-4-7-5;/h2*3-8H,1-2H3;4*1-4H,(H,8,9);/q;;;;;;+4/p-4
InChIKeyJVLZGZLRDWWIOY-UHFFFAOYSA-J
MW1047.13 g/mol
LogP3.30
Rot. Bonds6

About bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(4+);tetrakis(pyridine-2-carboxylate)

bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(4+);tetrakis(pyridine-2-carboxylate) (PubChem CID 159036084) has the molecular formula C48H40N8O8Os and a molecular weight of 1047.13 g/mol. Its IUPAC name is bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(4+);tetrakis(pyridine-2-carboxylate).

Molecular Properties

Compound Namebis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(4+);tetrakis(pyridine-2-carboxylate)
PubChem CID159036084
Molecular FormulaC48H40N8O8Os
Molecular Weight1047.13 g/mol
Exact Mass1048.26
IUPAC Namebis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(4+);tetrakis(pyridine-2-carboxylate)
SMILESCc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.[Os+4]
InChIInChI=1S/2C12H12N2.4C6H5NO2.Os/c2*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;4*8-6(9)5-3-1-2-4-7-5;/h2*3-8H,1-2H3;4*1-4H,(H,8,9);/q;;;;;;+4/p-4
InChIKeyJVLZGZLRDWWIOY-UHFFFAOYSA-J
XLogP3.30
TPSA263.64 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001047.13
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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Related Compounds

Picolinic acid, 5-butyl-, calcium salt
CID 134800
Vanadium picolinate
CID 129717522
Molybdenum picolinate
CID 160756221
Ruthenium bis(bipyridine)dicarboxybipyridine
CID 3081541
3,5-Bis((bis(2-pyridylmethyl)amino)methyl)benzoic acid
CID 66690508
4-Diphenylphosphanylbutyl(diphenyl)phosphane; 4-methyl-2-(4-methyl-2-pyridyl)pyridine; pyridine-2-carboxylate; ruthenium(2+); hexafluorophosphate
CID 56589582
Calcium fusarate
CID 13022439
Di-tetrabutylammonium cis-bis(isothiocyanato)bis(2,2'-bipyridyl-4,4'-dicarboxylato)ruthenium(II), 95% (NMR)
CID 71310680
Bis(2,2'-bipyridyl-4,4'-dicarboxylate) ruthenium
CID 129664332
Diethyl 2,2'-bipyridine-4,4'-dicarboxylate
CID 139049162
3-(2,4-Difluorophenyl)pyridine-2-carboxylate;5-pyridin-2-yl-3-(trifluoromethyl)pyrazole-3-carboxylate;ruthenium(3+)
CID 159252361
methane;[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine;N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid
CID 159323720

Frequently Asked Questions

What is the IUPAC name of bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(4+);tetrakis(pyridine-2-carboxylate)?
The IUPAC name of bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(4+);tetrakis(pyridine-2-carboxylate) (CID 159036084) is bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(4+);tetrakis(pyridine-2-carboxylate).
What is the SMILES notation for bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(4+);tetrakis(pyridine-2-carboxylate)?
The canonical SMILES for bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(4+);tetrakis(pyridine-2-carboxylate) is Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.[Os+4].
What is the InChIKey of bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(4+);tetrakis(pyridine-2-carboxylate)?
The InChIKey is JVLZGZLRDWWIOY-UHFFFAOYSA-J. The full InChI is InChI=1S/2C12H12N2.4C6H5NO2.Os/c2*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;4*8-6(9)5-3-1-2-4-7-5;/h2*3-8H,1-2H3;4*1-4H,(H,8,9);/q;;;;;;+4/p-4.
What are the key properties of bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(4+);tetrakis(pyridine-2-carboxylate)?
bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(4+);tetrakis(pyridine-2-carboxylate) has a molecular weight of 1047.13 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(4+);tetrakis(pyridine-2-carboxylate) is sourced from PubChem (CID 159036084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).