[3-(4-methoxy-2-pyridinyl)benzene-4-id-1-yl]methanamine;bis(4-methyl-2-pyrazol-1-ylpyridine);osmium(1+)

C31H31N8OOs — CID 176846191

IUPAC[3-(4-methoxy-2-pyridinyl)benzene-4-id-1-yl]methanamine;bis(4-methyl-2-pyrazol-1-ylpyridine);osmium(1+)
SMILESCOc1ccnc(-c2[c-]ccc(CN)c2)c1.Cc1ccnc(-n2cccn2)c1.Cc1ccnc(-n2cccn2)c1.[Os+]
InChIInChI=1S/C13H13N2O.2C9H9N3.Os/c1-16-12-5-6-15-13(8-12)11-4-2-3-10(7-11)9-14;2*1-8-3-5-10-9(7-8)12-6-2-4-11-12;/h2-3,5-8H,9,14H2,1H3;2*2-7H,1H3;/q-1;;;+1
InChIKeyNRYCUQAFSMSYMU-UHFFFAOYSA-N
MW721.87 g/mol
LogP5.17
Rot. Bonds5

About [3-(4-methoxy-2-pyridinyl)benzene-4-id-1-yl]methanamine;bis(4-methyl-2-pyrazol-1-ylpyridine);osmium(1+)

[3-(4-methoxy-2-pyridinyl)benzene-4-id-1-yl]methanamine;bis(4-methyl-2-pyrazol-1-ylpyridine);osmium(1+) (PubChem CID 176846191) has the molecular formula C31H31N8OOs and a molecular weight of 721.87 g/mol. Its IUPAC name is [3-(4-methoxy-2-pyridinyl)benzene-4-id-1-yl]methanamine;bis(4-methyl-2-pyrazol-1-ylpyridine);osmium(1+).

Molecular Properties

Compound Name[3-(4-methoxy-2-pyridinyl)benzene-4-id-1-yl]methanamine;bis(4-methyl-2-pyrazol-1-ylpyridine);osmium(1+)
PubChem CID176846191
Molecular FormulaC31H31N8OOs
Molecular Weight721.87 g/mol
Exact Mass723.22
IUPAC Name[3-(4-methoxy-2-pyridinyl)benzene-4-id-1-yl]methanamine;bis(4-methyl-2-pyrazol-1-ylpyridine);osmium(1+)
SMILESCOc1ccnc(-c2[c-]ccc(CN)c2)c1.Cc1ccnc(-n2cccn2)c1.Cc1ccnc(-n2cccn2)c1.[Os+]
InChIInChI=1S/C13H13N2O.2C9H9N3.Os/c1-16-12-5-6-15-13(8-12)11-4-2-3-10(7-11)9-14;2*1-8-3-5-10-9(7-8)12-6-2-4-11-12;/h2-3,5-8H,9,14H2,1H3;2*2-7H,1H3;/q-1;;;+1
InChIKeyNRYCUQAFSMSYMU-UHFFFAOYSA-N
XLogP5.17
TPSA109.56 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.87
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxy-2-pyridinyl)benzene-4-id-1-yl]methanamine;bis(4-methyl-2-pyrazol-1-ylpyridine);osmium(1+)?
The IUPAC name of [3-(4-methoxy-2-pyridinyl)benzene-4-id-1-yl]methanamine;bis(4-methyl-2-pyrazol-1-ylpyridine);osmium(1+) (CID 176846191) is [3-(4-methoxy-2-pyridinyl)benzene-4-id-1-yl]methanamine;bis(4-methyl-2-pyrazol-1-ylpyridine);osmium(1+).
What is the SMILES notation for [3-(4-methoxy-2-pyridinyl)benzene-4-id-1-yl]methanamine;bis(4-methyl-2-pyrazol-1-ylpyridine);osmium(1+)?
The canonical SMILES for [3-(4-methoxy-2-pyridinyl)benzene-4-id-1-yl]methanamine;bis(4-methyl-2-pyrazol-1-ylpyridine);osmium(1+) is COc1ccnc(-c2[c-]ccc(CN)c2)c1.Cc1ccnc(-n2cccn2)c1.Cc1ccnc(-n2cccn2)c1.[Os+].
What is the InChIKey of [3-(4-methoxy-2-pyridinyl)benzene-4-id-1-yl]methanamine;bis(4-methyl-2-pyrazol-1-ylpyridine);osmium(1+)?
The InChIKey is NRYCUQAFSMSYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N2O.2C9H9N3.Os/c1-16-12-5-6-15-13(8-12)11-4-2-3-10(7-11)9-14;2*1-8-3-5-10-9(7-8)12-6-2-4-11-12;/h2-3,5-8H,9,14H2,1H3;2*2-7H,1H3;/q-1;;;+1.
What are the key properties of [3-(4-methoxy-2-pyridinyl)benzene-4-id-1-yl]methanamine;bis(4-methyl-2-pyrazol-1-ylpyridine);osmium(1+)?
[3-(4-methoxy-2-pyridinyl)benzene-4-id-1-yl]methanamine;bis(4-methyl-2-pyrazol-1-ylpyridine);osmium(1+) has a molecular weight of 721.87 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxy-2-pyridinyl)benzene-4-id-1-yl]methanamine;bis(4-methyl-2-pyrazol-1-ylpyridine);osmium(1+) is sourced from PubChem (CID 176846191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).