pyridin-2-ylmethanimine;rhenium

C6H5N2Re- — CID 23118324

IUPACpyridin-2-ylmethanimine;rhenium
SMILES[H]/N=[C-]/c1ccccn1.[Re]
InChIInChI=1S/C6H5N2.Re/c7-5-6-3-1-2-4-8-6;/h1-4,7H;/q-1;
InChIKeyITOQAWCHIQFFDR-UHFFFAOYSA-N
MW291.33 g/mol
LogP0.95
Rot. Bonds1

About pyridin-2-ylmethanimine;rhenium

pyridin-2-ylmethanimine;rhenium (PubChem CID 23118324) has the molecular formula C6H5N2Re- and a molecular weight of 291.33 g/mol. Its IUPAC name is pyridin-2-ylmethanimine;rhenium.

Molecular Properties

Compound Namepyridin-2-ylmethanimine;rhenium
PubChem CID23118324
Molecular FormulaC6H5N2Re-
Molecular Weight291.33 g/mol
Exact Mass292.00
IUPAC Namepyridin-2-ylmethanimine;rhenium
SMILES[H]/N=[C-]/c1ccccn1.[Re]
InChIInChI=1S/C6H5N2.Re/c7-5-6-3-1-2-4-8-6;/h1-4,7H;/q-1;
InChIKeyITOQAWCHIQFFDR-UHFFFAOYSA-N
XLogP0.95
TPSA36.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

iridium(3+);pyridin-2-ylmethanone
CID 150226288
ethane;pyridin-2-ylmethanone;yttrium
CID 158599294
CID 175881771
CID 175881771
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
nickel;pyridin-2-ylmethanimine
CID 87871752
trimethyl(pyridin-2-yl)azanium hydroxide
CID 139671759
CID 174448743
CID 174448743
N,N-dipyridin-2-ylmethanimidamide
CID 90773673
2-chloropyridine;methanimidamide
CID 175495144
carbon monoxide;2-pyridin-2-ylpyridine;rhenium
CID 139182627
dipyridin-2-yldiazene;osmium
CID 173074203
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643

Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethanimine;rhenium?
The IUPAC name of pyridin-2-ylmethanimine;rhenium (CID 23118324) is pyridin-2-ylmethanimine;rhenium.
What is the SMILES notation for pyridin-2-ylmethanimine;rhenium?
The canonical SMILES for pyridin-2-ylmethanimine;rhenium is [H]/N=[C-]/c1ccccn1.[Re].
What is the InChIKey of pyridin-2-ylmethanimine;rhenium?
The InChIKey is ITOQAWCHIQFFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N2.Re/c7-5-6-3-1-2-4-8-6;/h1-4,7H;/q-1;.
What are the key properties of pyridin-2-ylmethanimine;rhenium?
pyridin-2-ylmethanimine;rhenium has a molecular weight of 291.33 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethanimine;rhenium is sourced from PubChem (CID 23118324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).