tert-butylimino(trichloro)tantalum;bis(pyridine)

C14H19Cl3N3Ta — CID 15806990

IUPACtert-butylimino(trichloro)tantalum;bis(pyridine)
SMILESCC(C)(C)N=[Ta](Cl)(Cl)Cl.c1ccncc1.c1ccncc1
InChIInChI=1S/2C5H5N.C4H9N.3ClH.Ta/c2*1-2-4-6-5-3-1;1-4(2,3)5;;;;/h2*1-5H;1-3H3;3*1H;/q;;;;;;+3/p-3
InChIKeyFMQWBQHQXABGJQ-UHFFFAOYSA-K
MW516.63 g/mol
LogP5.75
Rot. Bonds

About tert-butylimino(trichloro)tantalum;bis(pyridine)

tert-butylimino(trichloro)tantalum;bis(pyridine) (PubChem CID 15806990) has the molecular formula C14H19Cl3N3Ta and a molecular weight of 516.63 g/mol. Its IUPAC name is tert-butylimino(trichloro)tantalum;bis(pyridine).

Molecular Properties

Compound Nametert-butylimino(trichloro)tantalum;bis(pyridine)
PubChem CID15806990
Molecular FormulaC14H19Cl3N3Ta
Molecular Weight516.63 g/mol
Exact Mass515.01
IUPAC Nametert-butylimino(trichloro)tantalum;bis(pyridine)
SMILESCC(C)(C)N=[Ta](Cl)(Cl)Cl.c1ccncc1.c1ccncc1
InChIInChI=1S/2C5H5N.C4H9N.3ClH.Ta/c2*1-2-4-6-5-3-1;1-4(2,3)5;;;;/h2*1-5H;1-3H3;3*1H;/q;;;;;;+3/p-3
InChIKeyFMQWBQHQXABGJQ-UHFFFAOYSA-K
XLogP5.75
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.63
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butylimino(trichloro)tantalum;bis(pyridine)?
The IUPAC name of tert-butylimino(trichloro)tantalum;bis(pyridine) (CID 15806990) is tert-butylimino(trichloro)tantalum;bis(pyridine).
What is the SMILES notation for tert-butylimino(trichloro)tantalum;bis(pyridine)?
The canonical SMILES for tert-butylimino(trichloro)tantalum;bis(pyridine) is CC(C)(C)N=[Ta](Cl)(Cl)Cl.c1ccncc1.c1ccncc1.
What is the InChIKey of tert-butylimino(trichloro)tantalum;bis(pyridine)?
The InChIKey is FMQWBQHQXABGJQ-UHFFFAOYSA-K. The full InChI is InChI=1S/2C5H5N.C4H9N.3ClH.Ta/c2*1-2-4-6-5-3-1;1-4(2,3)5;;;;/h2*1-5H;1-3H3;3*1H;/q;;;;;;+3/p-3.
What are the key properties of tert-butylimino(trichloro)tantalum;bis(pyridine)?
tert-butylimino(trichloro)tantalum;bis(pyridine) has a molecular weight of 516.63 g/mol, XLogP of 5.75, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylimino(trichloro)tantalum;bis(pyridine) is sourced from PubChem (CID 15806990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).