2-(3-methylbenzene-6-id-1-yl)-4-prop-2-enoxypyridine;bis(4-methyl-2-pyrazol-1-ylpyridine);osmium(1+)

C33H32N7OOs — CID 176846005

IUPAC2-(3-methylbenzene-6-id-1-yl)-4-prop-2-enoxypyridine;bis(4-methyl-2-pyrazol-1-ylpyridine);osmium(1+)
SMILESC=CCOc1ccnc(-c2[c-]ccc(C)c2)c1.Cc1ccnc(-n2cccn2)c1.Cc1ccnc(-n2cccn2)c1.[Os+]
InChIInChI=1S/C15H14NO.2C9H9N3.Os/c1-3-9-17-14-7-8-16-15(11-14)13-6-4-5-12(2)10-13;2*1-8-3-5-10-9(7-8)12-6-2-4-11-12;/h3-5,7-8,10-11H,1,9H2,2H3;2*2-7H,1H3;/q-1;;;+1
InChIKeyJSWMIOBCSROSSI-UHFFFAOYSA-N
MW732.90 g/mol
LogP6.57
Rot. Bonds6

About 2-(3-methylbenzene-6-id-1-yl)-4-prop-2-enoxypyridine;bis(4-methyl-2-pyrazol-1-ylpyridine);osmium(1+)

2-(3-methylbenzene-6-id-1-yl)-4-prop-2-enoxypyridine;bis(4-methyl-2-pyrazol-1-ylpyridine);osmium(1+) (PubChem CID 176846005) has the molecular formula C33H32N7OOs and a molecular weight of 732.90 g/mol. Its IUPAC name is 2-(3-methylbenzene-6-id-1-yl)-4-prop-2-enoxypyridine;bis(4-methyl-2-pyrazol-1-ylpyridine);osmium(1+).

Molecular Properties

Compound Name2-(3-methylbenzene-6-id-1-yl)-4-prop-2-enoxypyridine;bis(4-methyl-2-pyrazol-1-ylpyridine);osmium(1+)
PubChem CID176846005
Molecular FormulaC33H32N7OOs
Molecular Weight732.90 g/mol
Exact Mass734.23
IUPAC Name2-(3-methylbenzene-6-id-1-yl)-4-prop-2-enoxypyridine;bis(4-methyl-2-pyrazol-1-ylpyridine);osmium(1+)
SMILESC=CCOc1ccnc(-c2[c-]ccc(C)c2)c1.Cc1ccnc(-n2cccn2)c1.Cc1ccnc(-n2cccn2)c1.[Os+]
InChIInChI=1S/C15H14NO.2C9H9N3.Os/c1-3-9-17-14-7-8-16-15(11-14)13-6-4-5-12(2)10-13;2*1-8-3-5-10-9(7-8)12-6-2-4-11-12;/h3-5,7-8,10-11H,1,9H2,2H3;2*2-7H,1H3;/q-1;;;+1
InChIKeyJSWMIOBCSROSSI-UHFFFAOYSA-N
XLogP6.57
TPSA83.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.90
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbenzene-6-id-1-yl)-4-prop-2-enoxypyridine;bis(4-methyl-2-pyrazol-1-ylpyridine);osmium(1+)?
The IUPAC name of 2-(3-methylbenzene-6-id-1-yl)-4-prop-2-enoxypyridine;bis(4-methyl-2-pyrazol-1-ylpyridine);osmium(1+) (CID 176846005) is 2-(3-methylbenzene-6-id-1-yl)-4-prop-2-enoxypyridine;bis(4-methyl-2-pyrazol-1-ylpyridine);osmium(1+).
What is the SMILES notation for 2-(3-methylbenzene-6-id-1-yl)-4-prop-2-enoxypyridine;bis(4-methyl-2-pyrazol-1-ylpyridine);osmium(1+)?
The canonical SMILES for 2-(3-methylbenzene-6-id-1-yl)-4-prop-2-enoxypyridine;bis(4-methyl-2-pyrazol-1-ylpyridine);osmium(1+) is C=CCOc1ccnc(-c2[c-]ccc(C)c2)c1.Cc1ccnc(-n2cccn2)c1.Cc1ccnc(-n2cccn2)c1.[Os+].
What is the InChIKey of 2-(3-methylbenzene-6-id-1-yl)-4-prop-2-enoxypyridine;bis(4-methyl-2-pyrazol-1-ylpyridine);osmium(1+)?
The InChIKey is JSWMIOBCSROSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14NO.2C9H9N3.Os/c1-3-9-17-14-7-8-16-15(11-14)13-6-4-5-12(2)10-13;2*1-8-3-5-10-9(7-8)12-6-2-4-11-12;/h3-5,7-8,10-11H,1,9H2,2H3;2*2-7H,1H3;/q-1;;;+1.
What are the key properties of 2-(3-methylbenzene-6-id-1-yl)-4-prop-2-enoxypyridine;bis(4-methyl-2-pyrazol-1-ylpyridine);osmium(1+)?
2-(3-methylbenzene-6-id-1-yl)-4-prop-2-enoxypyridine;bis(4-methyl-2-pyrazol-1-ylpyridine);osmium(1+) has a molecular weight of 732.90 g/mol, XLogP of 6.57, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbenzene-6-id-1-yl)-4-prop-2-enoxypyridine;bis(4-methyl-2-pyrazol-1-ylpyridine);osmium(1+) is sourced from PubChem (CID 176846005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).