5-(2,2-dimethylpropyl)-3H-pyridin-3-ide;rhenium

C10H14NRe- — CID 155738230

IUPAC5-(2,2-dimethylpropyl)-3H-pyridin-3-ide;rhenium
SMILESCC(C)(C)Cc1c[c-]cnc1.[Re]
InChIInChI=1S/C10H14N.Re/c1-10(2,3)7-9-5-4-6-11-8-9;/h5-6,8H,7H2,1-3H3;/q-1;
InChIKeySAJKVKJZXSRKNB-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.47
Rot. Bonds1

About 5-(2,2-dimethylpropyl)-3H-pyridin-3-ide;rhenium

5-(2,2-dimethylpropyl)-3H-pyridin-3-ide;rhenium (PubChem CID 155738230) has the molecular formula C10H14NRe- and a molecular weight of 334.44 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-3H-pyridin-3-ide;rhenium.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-3H-pyridin-3-ide;rhenium
PubChem CID155738230
Molecular FormulaC10H14NRe-
Molecular Weight334.44 g/mol
Exact Mass335.07
IUPAC Name5-(2,2-dimethylpropyl)-3H-pyridin-3-ide;rhenium
SMILESCC(C)(C)Cc1c[c-]cnc1.[Re]
InChIInChI=1S/C10H14N.Re/c1-10(2,3)7-9-5-4-6-11-8-9;/h5-6,8H,7H2,1-3H3;/q-1;
InChIKeySAJKVKJZXSRKNB-UHFFFAOYSA-N
XLogP2.47
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.47
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

3,6-ditert-butyl-4H-azepine
CID 14927387
lithium 5-(2,2-dimethylpropyl)-2-fluoro-3H-pyridin-3-ide
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3-tert-butyl-2H-pyridin-2-ide;rhenium
CID 57708296
4-tert-butyl-2H-pyridin-2-ide;rhenium
CID 57708313
5-(3,3-dimethylbutyl)-3H-pyridin-3-ide;2-methylpropane;bis(vanadium);vanadium(2+)
CID 58055247
5-propan-2-yl-3H-pyridin-3-ide;rhodium
CID 58126788
5-tert-butyl-3H-pyridin-3-ide;yttrium
CID 59698764
5-tert-butyl-2H-pyridin-2-ide;rutherfordium
CID 59879073
N-[2-(2,2-dimethylpropyl)penta-1,3-dienyl]methanimine
CID 123531864
N-[(1Z,3E)-2-(2,2-dimethylpropyl)-4,5,5-trimethylhexa-1,3-dienyl]methanimine
CID 137430122
N-[(1Z,3Z)-3-tert-butyl-2-methylpenta-1,3-dienyl]methanimine
CID 138572934
(4E)-4-but-3-en-2-ylidene-3-methyl-5-methylidenepyridine
CID 139435824

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-3H-pyridin-3-ide;rhenium?
The IUPAC name of 5-(2,2-dimethylpropyl)-3H-pyridin-3-ide;rhenium (CID 155738230) is 5-(2,2-dimethylpropyl)-3H-pyridin-3-ide;rhenium.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-3H-pyridin-3-ide;rhenium?
The canonical SMILES for 5-(2,2-dimethylpropyl)-3H-pyridin-3-ide;rhenium is CC(C)(C)Cc1c[c-]cnc1.[Re].
What is the InChIKey of 5-(2,2-dimethylpropyl)-3H-pyridin-3-ide;rhenium?
The InChIKey is SAJKVKJZXSRKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N.Re/c1-10(2,3)7-9-5-4-6-11-8-9;/h5-6,8H,7H2,1-3H3;/q-1;.
What are the key properties of 5-(2,2-dimethylpropyl)-3H-pyridin-3-ide;rhenium?
5-(2,2-dimethylpropyl)-3H-pyridin-3-ide;rhenium has a molecular weight of 334.44 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-3H-pyridin-3-ide;rhenium is sourced from PubChem (CID 155738230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).