6-tert-butyl-3H-pyridin-3-ide;vanadium

C9H12NV- — CID 59262999

IUPAC6-tert-butyl-3H-pyridin-3-ide;vanadium
SMILESCC(C)(C)c1cc[c-]cn1.[V]
InChIInChI=1S/C9H12N.V/c1-9(2,3)8-6-4-5-7-10-8;/h4,6-7H,1-3H3;/q-1;
InChIKeyRJAWGLVLHSFZHC-UHFFFAOYSA-N
MW185.15 g/mol
LogP2.18
Rot. Bonds

About 6-tert-butyl-3H-pyridin-3-ide;vanadium

6-tert-butyl-3H-pyridin-3-ide;vanadium (PubChem CID 59262999) has the molecular formula C9H12NV- and a molecular weight of 185.15 g/mol. Its IUPAC name is 6-tert-butyl-3H-pyridin-3-ide;vanadium.

Molecular Properties

Compound Name6-tert-butyl-3H-pyridin-3-ide;vanadium
PubChem CID59262999
Molecular FormulaC9H12NV-
Molecular Weight185.15 g/mol
Exact Mass185.04
IUPAC Name6-tert-butyl-3H-pyridin-3-ide;vanadium
SMILESCC(C)(C)c1cc[c-]cn1.[V]
InChIInChI=1S/C9H12N.V/c1-9(2,3)8-6-4-5-7-10-8;/h4,6-7H,1-3H3;/q-1;
InChIKeyRJAWGLVLHSFZHC-UHFFFAOYSA-N
XLogP2.18
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.15
LogP ≤ 52.18
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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Related Compounds

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2-(3,3-dimethylbutyl)-4H-pyridin-4-ide;2-methylpropane;bis(vanadium);vanadium(2+)
CID 58055106
6-(3,3-dimethylbutyl)-3H-pyridin-3-ide;2-methylpropane;bis(vanadium);vanadium(2+)
CID 58055324
6-methanidyl-3H-pyridin-3-ide;bis(2-methylpropane);tris(vanadium);bis(vanadium(2+))
CID 58055657
2-methanidyl-4H-pyridin-4-ide;bis(2-methylpropane);tris(vanadium);bis(vanadium(2+))
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carbanide;6-ethyl-3H-pyridin-3-ide;yttrium
CID 58257483

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3H-pyridin-3-ide;vanadium?
The IUPAC name of 6-tert-butyl-3H-pyridin-3-ide;vanadium (CID 59262999) is 6-tert-butyl-3H-pyridin-3-ide;vanadium.
What is the SMILES notation for 6-tert-butyl-3H-pyridin-3-ide;vanadium?
The canonical SMILES for 6-tert-butyl-3H-pyridin-3-ide;vanadium is CC(C)(C)c1cc[c-]cn1.[V].
What is the InChIKey of 6-tert-butyl-3H-pyridin-3-ide;vanadium?
The InChIKey is RJAWGLVLHSFZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N.V/c1-9(2,3)8-6-4-5-7-10-8;/h4,6-7H,1-3H3;/q-1;.
What are the key properties of 6-tert-butyl-3H-pyridin-3-ide;vanadium?
6-tert-butyl-3H-pyridin-3-ide;vanadium has a molecular weight of 185.15 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3H-pyridin-3-ide;vanadium is sourced from PubChem (CID 59262999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).