3H-pyridin-3-ide;titanium;trihydrochloride

C5H7Cl3NTi- — CID 173180210

IUPAC3H-pyridin-3-ide;titanium;trihydrochloride
SMILESCl.Cl.Cl.[Ti].[c-]1cccnc1
InChIInChI=1S/C5H4N.3ClH.Ti/c1-2-4-6-5-3-1;;;;/h1-2,4-5H;3*1H;/q-1;;;;
InChIKeyUHUBLIYNIFEXJB-UHFFFAOYSA-N
MW235.34 g/mol
LogP2.14
Rot. Bonds

About 3H-pyridin-3-ide;titanium;trihydrochloride

3H-pyridin-3-ide;titanium;trihydrochloride (PubChem CID 173180210) has the molecular formula C5H7Cl3NTi- and a molecular weight of 235.34 g/mol. Its IUPAC name is 3H-pyridin-3-ide;titanium;trihydrochloride.

Molecular Properties

Compound Name3H-pyridin-3-ide;titanium;trihydrochloride
PubChem CID173180210
Molecular FormulaC5H7Cl3NTi-
Molecular Weight235.34 g/mol
Exact Mass233.91
IUPAC Name3H-pyridin-3-ide;titanium;trihydrochloride
SMILESCl.Cl.Cl.[Ti].[c-]1cccnc1
InChIInChI=1S/C5H4N.3ClH.Ti/c1-2-4-6-5-3-1;;;;/h1-2,4-5H;3*1H;/q-1;;;;
InChIKeyUHUBLIYNIFEXJB-UHFFFAOYSA-N
XLogP2.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.34
LogP ≤ 52.14
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

3H-pyridin-3-ide;yttrium
CID 59968407
copper(1+);3H-pyridin-3-ide
CID 59371761
ethane;3H-pyridin-3-ide;yttrium
CID 142017412
potassium;3H-pyridin-3-ide;tritetrafluoroborate
CID 174991374
ethane;3H-pyridin-3-ide;4H-pyridin-4-ide;bis(yttrium)
CID 162081028
bis(pyridine);hydrate;hydrochloride
CID 173340794
pyrimidine;dihydrate;hydrochloride
CID 142797131
pyrimidine;pentahydrate;trihydrochloride
CID 139950322
CID 157473155
CID 157473155
benzene
CID 10863811
oxovanadium;bis(pyridine);dihydrochloride
CID 11098465
bis(pyridine);hydrochloride
CID 68793121

Frequently Asked Questions

What is the IUPAC name of 3H-pyridin-3-ide;titanium;trihydrochloride?
The IUPAC name of 3H-pyridin-3-ide;titanium;trihydrochloride (CID 173180210) is 3H-pyridin-3-ide;titanium;trihydrochloride.
What is the SMILES notation for 3H-pyridin-3-ide;titanium;trihydrochloride?
The canonical SMILES for 3H-pyridin-3-ide;titanium;trihydrochloride is Cl.Cl.Cl.[Ti].[c-]1cccnc1.
What is the InChIKey of 3H-pyridin-3-ide;titanium;trihydrochloride?
The InChIKey is UHUBLIYNIFEXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N.3ClH.Ti/c1-2-4-6-5-3-1;;;;/h1-2,4-5H;3*1H;/q-1;;;;.
What are the key properties of 3H-pyridin-3-ide;titanium;trihydrochloride?
3H-pyridin-3-ide;titanium;trihydrochloride has a molecular weight of 235.34 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-pyridin-3-ide;titanium;trihydrochloride is sourced from PubChem (CID 173180210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).