bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);1-methylpyridin-1-ium-2-carboxylic acid;osmium

C31H32N5O2Os+ — CID 91865269

IUPACbis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);1-methylpyridin-1-ium-2-carboxylic acid;osmium
SMILESC[n+]1ccccc1C(=O)O.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.[Os]
InChIInChI=1S/2C12H12N2.C7H7NO2.Os/c2*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;1-8-5-3-2-4-6(8)7(9)10;/h2*3-8H,1-2H3;2-5H,1H3;/p+1
InChIKeyPMNZBYKDOIBWSK-UHFFFAOYSA-O
MW696.86 g/mol
LogP5.73
Rot. Bonds3

About bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);1-methylpyridin-1-ium-2-carboxylic acid;osmium

bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);1-methylpyridin-1-ium-2-carboxylic acid;osmium (PubChem CID 91865269) has the molecular formula C31H32N5O2Os+ and a molecular weight of 696.86 g/mol. Its IUPAC name is bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);1-methylpyridin-1-ium-2-carboxylic acid;osmium.

Molecular Properties

Compound Namebis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);1-methylpyridin-1-ium-2-carboxylic acid;osmium
PubChem CID91865269
Molecular FormulaC31H32N5O2Os+
Molecular Weight696.86 g/mol
Exact Mass698.22
IUPAC Namebis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);1-methylpyridin-1-ium-2-carboxylic acid;osmium
SMILESC[n+]1ccccc1C(=O)O.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.[Os]
InChIInChI=1S/2C12H12N2.C7H7NO2.Os/c2*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;1-8-5-3-2-4-6(8)7(9)10;/h2*3-8H,1-2H3;2-5H,1H3;/p+1
InChIKeyPMNZBYKDOIBWSK-UHFFFAOYSA-O
XLogP5.73
TPSA92.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.86
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3,3'-Dibutyl-9,9'-spirobi[8-oxa-1$l^{5}-aza-9$l^{4}-cuprabicyclo[4.3.0]nona-1(6),2,4-triene]-7,7'-dione
CID 71594095
3,3'-Dibutyl-9,9'-spirobi[8-oxa-1$l^{5}-aza-9$l^{4}-cadmabicyclo[4.3.0]nona-1(6),2,4-triene]-7,7'-dione
CID 71594096
3,3'-Dibutyl-9,9'-spirobi[8-oxa-1$l^{5}-aza-9$l^{4}-zincabicyclo[4.3.0]nona-1(6),2,4-triene]-7,7'-dione
CID 71594097
3,3'-Dibutyl-9,9'-spirobi[8-oxa-1$l^{5}-aza-9$l^{4}-manganabicyclo[4.3.0]nona-1(6),2,4-triene]-7,7'-dione
CID 71594098
3,3'-Dibutyl-9,9'-spirobi[8-oxa-1$l^{5}-aza-9$l^{4}-ferrabicyclo[4.3.0]nona-1(6),2,4-triene]-7,7'-dione
CID 71594099
Tris(5-butylpyridine-2-carboxylic acid);iron
CID 91867238
Vanadium picolinate
CID 129717522
2-(4-Carboxylato-2-pyridinyl)pyridine-4-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+)
CID 168344486
Iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;pyridine-2-carboxylic acid
CID 57623718
Bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);ruthenium(2+);diisothiocyanate
CID 60017239
Iridium;5-methyl-3-(4-methylphenyl)-2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazine;pyridine-2-carboxylic acid
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CID 135993594

Frequently Asked Questions

What is the IUPAC name of bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);1-methylpyridin-1-ium-2-carboxylic acid;osmium?
The IUPAC name of bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);1-methylpyridin-1-ium-2-carboxylic acid;osmium (CID 91865269) is bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);1-methylpyridin-1-ium-2-carboxylic acid;osmium.
What is the SMILES notation for bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);1-methylpyridin-1-ium-2-carboxylic acid;osmium?
The canonical SMILES for bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);1-methylpyridin-1-ium-2-carboxylic acid;osmium is C[n+]1ccccc1C(=O)O.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.[Os].
What is the InChIKey of bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);1-methylpyridin-1-ium-2-carboxylic acid;osmium?
The InChIKey is PMNZBYKDOIBWSK-UHFFFAOYSA-O. The full InChI is InChI=1S/2C12H12N2.C7H7NO2.Os/c2*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;1-8-5-3-2-4-6(8)7(9)10;/h2*3-8H,1-2H3;2-5H,1H3;/p+1.
What are the key properties of bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);1-methylpyridin-1-ium-2-carboxylic acid;osmium?
bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);1-methylpyridin-1-ium-2-carboxylic acid;osmium has a molecular weight of 696.86 g/mol, XLogP of 5.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);1-methylpyridin-1-ium-2-carboxylic acid;osmium is sourced from PubChem (CID 91865269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).