N-methyl-1-[6-(phenoxy)-2-pyridinyl]methanamine;osmium(1+)

C13H13N2OOs — CID 58106856

IUPACN-methyl-1-[6-(phenoxy)-2-pyridinyl]methanamine;osmium(1+)
SMILESCNCc1cccc(Oc2[c-]cccc2)n1.[Os+]
InChIInChI=1S/C13H13N2O.Os/c1-14-10-11-6-5-9-13(15-11)16-12-7-3-2-4-8-12;/h2-7,9,14H,10H2,1H3;/q-1;+1
InChIKeyKSCNDBMEPIQGIY-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.39
Rot. Bonds4

About N-methyl-1-[6-(phenoxy)-2-pyridinyl]methanamine;osmium(1+)

N-methyl-1-[6-(phenoxy)-2-pyridinyl]methanamine;osmium(1+) (PubChem CID 58106856) has the molecular formula C13H13N2OOs and a molecular weight of 403.49 g/mol. Its IUPAC name is N-methyl-1-[6-(phenoxy)-2-pyridinyl]methanamine;osmium(1+).

Molecular Properties

Compound NameN-methyl-1-[6-(phenoxy)-2-pyridinyl]methanamine;osmium(1+)
PubChem CID58106856
Molecular FormulaC13H13N2OOs
Molecular Weight403.49 g/mol
Exact Mass405.06
IUPAC NameN-methyl-1-[6-(phenoxy)-2-pyridinyl]methanamine;osmium(1+)
SMILESCNCc1cccc(Oc2[c-]cccc2)n1.[Os+]
InChIInChI=1S/C13H13N2O.Os/c1-14-10-11-6-5-9-13(15-11)16-12-7-3-2-4-8-12;/h2-7,9,14H,10H2,1H3;/q-1;+1
InChIKeyKSCNDBMEPIQGIY-UHFFFAOYSA-N
XLogP2.39
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-methyl-1-[6-(phenoxy)-2-pyridinyl]methanamine;osmium(1+)?
The IUPAC name of N-methyl-1-[6-(phenoxy)-2-pyridinyl]methanamine;osmium(1+) (CID 58106856) is N-methyl-1-[6-(phenoxy)-2-pyridinyl]methanamine;osmium(1+).
What is the SMILES notation for N-methyl-1-[6-(phenoxy)-2-pyridinyl]methanamine;osmium(1+)?
The canonical SMILES for N-methyl-1-[6-(phenoxy)-2-pyridinyl]methanamine;osmium(1+) is CNCc1cccc(Oc2[c-]cccc2)n1.[Os+].
What is the InChIKey of N-methyl-1-[6-(phenoxy)-2-pyridinyl]methanamine;osmium(1+)?
The InChIKey is KSCNDBMEPIQGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N2O.Os/c1-14-10-11-6-5-9-13(15-11)16-12-7-3-2-4-8-12;/h2-7,9,14H,10H2,1H3;/q-1;+1.
What are the key properties of N-methyl-1-[6-(phenoxy)-2-pyridinyl]methanamine;osmium(1+)?
N-methyl-1-[6-(phenoxy)-2-pyridinyl]methanamine;osmium(1+) has a molecular weight of 403.49 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-(phenoxy)-2-pyridinyl]methanamine;osmium(1+) is sourced from PubChem (CID 58106856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).