5-propan-2-yl-2H-pyridin-2-ide;rhenium

C8H10NRe- — CID 154040188

IUPAC5-propan-2-yl-2H-pyridin-2-ide;rhenium
SMILESCC(C)c1cc[c-]nc1.[Re]
InChIInChI=1S/C8H10N.Re/c1-7(2)8-4-3-5-9-6-8;/h3-4,6-7H,1-2H3;/q-1;
InChIKeyTXMVZWSCEDVVCQ-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.00
Rot. Bonds1

About 5-propan-2-yl-2H-pyridin-2-ide;rhenium

5-propan-2-yl-2H-pyridin-2-ide;rhenium (PubChem CID 154040188) has the molecular formula C8H10NRe- and a molecular weight of 306.38 g/mol. Its IUPAC name is 5-propan-2-yl-2H-pyridin-2-ide;rhenium.

Molecular Properties

Compound Name5-propan-2-yl-2H-pyridin-2-ide;rhenium
PubChem CID154040188
Molecular FormulaC8H10NRe-
Molecular Weight306.38 g/mol
Exact Mass307.04
IUPAC Name5-propan-2-yl-2H-pyridin-2-ide;rhenium
SMILESCC(C)c1cc[c-]nc1.[Re]
InChIInChI=1S/C8H10N.Re/c1-7(2)8-4-3-5-9-6-8;/h3-4,6-7H,1-2H3;/q-1;
InChIKeyTXMVZWSCEDVVCQ-UHFFFAOYSA-N
XLogP2.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 5-propan-2-yl-2H-pyridin-2-ide;rhenium?
The IUPAC name of 5-propan-2-yl-2H-pyridin-2-ide;rhenium (CID 154040188) is 5-propan-2-yl-2H-pyridin-2-ide;rhenium.
What is the SMILES notation for 5-propan-2-yl-2H-pyridin-2-ide;rhenium?
The canonical SMILES for 5-propan-2-yl-2H-pyridin-2-ide;rhenium is CC(C)c1cc[c-]nc1.[Re].
What is the InChIKey of 5-propan-2-yl-2H-pyridin-2-ide;rhenium?
The InChIKey is TXMVZWSCEDVVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N.Re/c1-7(2)8-4-3-5-9-6-8;/h3-4,6-7H,1-2H3;/q-1;.
What are the key properties of 5-propan-2-yl-2H-pyridin-2-ide;rhenium?
5-propan-2-yl-2H-pyridin-2-ide;rhenium has a molecular weight of 306.38 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2H-pyridin-2-ide;rhenium is sourced from PubChem (CID 154040188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).