phenyl(pyridin-2-ylmethyl)azanide;trichlorotitanium(1+)

C12H11Cl3N2Ti — CID 140886507

IUPACphenyl(pyridin-2-ylmethyl)azanide;trichlorotitanium(1+)
SMILESCl[Ti+](Cl)Cl.c1ccc([N-]Cc2ccccn2)cc1
InChIInChI=1S/C12H11N2.3ClH.Ti/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13-12;;;;/h1-9H,10H2;3*1H;/q-1;;;;+4/p-3
InChIKeySXXMSLAGBYGXQG-UHFFFAOYSA-K
MW337.46 g/mol
LogP5.35
Rot. Bonds3

About phenyl(pyridin-2-ylmethyl)azanide;trichlorotitanium(1+)

phenyl(pyridin-2-ylmethyl)azanide;trichlorotitanium(1+) (PubChem CID 140886507) has the molecular formula C12H11Cl3N2Ti and a molecular weight of 337.46 g/mol. Its IUPAC name is phenyl(pyridin-2-ylmethyl)azanide;trichlorotitanium(1+).

Molecular Properties

Compound Namephenyl(pyridin-2-ylmethyl)azanide;trichlorotitanium(1+)
PubChem CID140886507
Molecular FormulaC12H11Cl3N2Ti
Molecular Weight337.46 g/mol
Exact Mass335.95
IUPAC Namephenyl(pyridin-2-ylmethyl)azanide;trichlorotitanium(1+)
SMILESCl[Ti+](Cl)Cl.c1ccc([N-]Cc2ccccn2)cc1
InChIInChI=1S/C12H11N2.3ClH.Ti/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13-12;;;;/h1-9H,10H2;3*1H;/q-1;;;;+4/p-3
InChIKeySXXMSLAGBYGXQG-UHFFFAOYSA-K
XLogP5.35
TPSA26.99 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.46
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-(pyridin-2-ylmethylsulfanylmethyl)pyridine
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ethane;pyridin-2-ylmethanamine
CID 90791011
2-ethylpyridine;sulfane
CID 67363352
pyridin-2-ylmethanol;vanadium
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ethane;2-ethylpyridine
CID 91102000
2-(fluoromethyl)pyridine;hydroiodide
CID 173061202
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CID 20660763
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CID 10594187

Frequently Asked Questions

What is the IUPAC name of phenyl(pyridin-2-ylmethyl)azanide;trichlorotitanium(1+)?
The IUPAC name of phenyl(pyridin-2-ylmethyl)azanide;trichlorotitanium(1+) (CID 140886507) is phenyl(pyridin-2-ylmethyl)azanide;trichlorotitanium(1+).
What is the SMILES notation for phenyl(pyridin-2-ylmethyl)azanide;trichlorotitanium(1+)?
The canonical SMILES for phenyl(pyridin-2-ylmethyl)azanide;trichlorotitanium(1+) is Cl[Ti+](Cl)Cl.c1ccc([N-]Cc2ccccn2)cc1.
What is the InChIKey of phenyl(pyridin-2-ylmethyl)azanide;trichlorotitanium(1+)?
The InChIKey is SXXMSLAGBYGXQG-UHFFFAOYSA-K. The full InChI is InChI=1S/C12H11N2.3ClH.Ti/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13-12;;;;/h1-9H,10H2;3*1H;/q-1;;;;+4/p-3.
What are the key properties of phenyl(pyridin-2-ylmethyl)azanide;trichlorotitanium(1+)?
phenyl(pyridin-2-ylmethyl)azanide;trichlorotitanium(1+) has a molecular weight of 337.46 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(pyridin-2-ylmethyl)azanide;trichlorotitanium(1+) is sourced from PubChem (CID 140886507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).