5-tert-butyl-2H-pyridin-2-ide;rutherfordium

C9H12NRf- — CID 59879073

IUPAC5-tert-butyl-2H-pyridin-2-ide;rutherfordium
SMILESCC(C)(C)c1cc[c-]nc1.[Rf]
InChIInChI=1S/C9H12N.Rf/c1-9(2,3)8-5-4-6-10-7-8;/h4-5,7H,1-3H3;/q-1;
InChIKeyGCJFIZSMYPAFLD-UHFFFAOYSA-N
MW401.20 g/mol
LogP2.18
Rot. Bonds

About 5-tert-butyl-2H-pyridin-2-ide;rutherfordium

5-tert-butyl-2H-pyridin-2-ide;rutherfordium (PubChem CID 59879073) has the molecular formula C9H12NRf- and a molecular weight of 401.20 g/mol. Its IUPAC name is 5-tert-butyl-2H-pyridin-2-ide;rutherfordium.

Molecular Properties

Compound Name5-tert-butyl-2H-pyridin-2-ide;rutherfordium
PubChem CID59879073
Molecular FormulaC9H12NRf-
Molecular Weight401.20 g/mol
Exact Mass401.22
IUPAC Name5-tert-butyl-2H-pyridin-2-ide;rutherfordium
SMILESCC(C)(C)c1cc[c-]nc1.[Rf]
InChIInChI=1S/C9H12N.Rf/c1-9(2,3)8-5-4-6-10-7-8;/h4-5,7H,1-3H3;/q-1;
InChIKeyGCJFIZSMYPAFLD-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 ≤ 500401.20
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

Bis(4-t-butylpyridin-2-yl)calcium
CID 129858080
lithium 5-(2,2-dimethylpropyl)-2-fluoro-3H-pyridin-3-ide
CID 134966127
3-tert-butyl-2H-pyridin-2-ide;rhenium
CID 57708296
4-tert-butyl-2H-pyridin-2-ide;rhenium
CID 57708313
carbanide;5-propan-2-yl-2H-pyridin-2-ide;tungsten(2+)
CID 57856119
carbanide;4-propan-2-yl-2H-pyridin-2-ide;tungsten(2+)
CID 57856127
carbanide;3-propan-2-yl-2H-pyridin-2-ide;tungsten(2+)
CID 57856174
potassium 5-tert-butyl-2H-pyridin-2-ide
CID 57882004
5-(3,3-dimethylbutyl)-2H-pyridin-2-ide;2-methylpropane;bis(vanadium);vanadium(2+)
CID 58055184
4-(3,3-dimethylbutyl)-2H-pyridin-2-ide;2-methylpropane;bis(vanadium);vanadium(2+)
CID 58055339
5-methanidyl-2H-pyridin-2-ide;bis(2-methylpropane);tris(vanadium);bis(vanadium(2+))
CID 58055640
3-propan-2-yl-2H-pyridin-2-ide;rhodium
CID 58126740

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2H-pyridin-2-ide;rutherfordium?
The IUPAC name of 5-tert-butyl-2H-pyridin-2-ide;rutherfordium (CID 59879073) is 5-tert-butyl-2H-pyridin-2-ide;rutherfordium.
What is the SMILES notation for 5-tert-butyl-2H-pyridin-2-ide;rutherfordium?
The canonical SMILES for 5-tert-butyl-2H-pyridin-2-ide;rutherfordium is CC(C)(C)c1cc[c-]nc1.[Rf].
What is the InChIKey of 5-tert-butyl-2H-pyridin-2-ide;rutherfordium?
The InChIKey is GCJFIZSMYPAFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N.Rf/c1-9(2,3)8-5-4-6-10-7-8;/h4-5,7H,1-3H3;/q-1;.
What are the key properties of 5-tert-butyl-2H-pyridin-2-ide;rutherfordium?
5-tert-butyl-2H-pyridin-2-ide;rutherfordium has a molecular weight of 401.20 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 5-tert-butyl-2H-pyridin-2-ide;rutherfordium is sourced from PubChem (CID 59879073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).