N-(3,5-dichlorophenyl)-1-pyrrol-1-id-2-ylmethanimine;dichlorotitanium

C11H7Cl4N2Ti- — CID 23380103

IUPACN-(3,5-dichlorophenyl)-1-pyrrol-1-id-2-ylmethanimine;dichlorotitanium
SMILESCl[Ti]Cl.Clc1cc(Cl)cc(/N=C/c2ccc[n-]2)c1
InChIInChI=1S/C11H7Cl2N2.2ClH.Ti/c12-8-4-9(13)6-11(5-8)15-7-10-2-1-3-14-10;;;/h1-7H;2*1H;/q-1;;;+2/p-2/b15-7+;;;
InChIKeyFNFJSRDUFYPVLH-HFUUWOKWSA-L
MW356.87 g/mol
LogP5.08
Rot. Bonds2

About N-(3,5-dichlorophenyl)-1-pyrrol-1-id-2-ylmethanimine;dichlorotitanium

N-(3,5-dichlorophenyl)-1-pyrrol-1-id-2-ylmethanimine;dichlorotitanium (PubChem CID 23380103) has the molecular formula C11H7Cl4N2Ti- and a molecular weight of 356.87 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-1-pyrrol-1-id-2-ylmethanimine;dichlorotitanium.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-1-pyrrol-1-id-2-ylmethanimine;dichlorotitanium
PubChem CID23380103
Molecular FormulaC11H7Cl4N2Ti-
Molecular Weight356.87 g/mol
Exact Mass354.88
IUPAC NameN-(3,5-dichlorophenyl)-1-pyrrol-1-id-2-ylmethanimine;dichlorotitanium
SMILESCl[Ti]Cl.Clc1cc(Cl)cc(/N=C/c2ccc[n-]2)c1
InChIInChI=1S/C11H7Cl2N2.2ClH.Ti/c12-8-4-9(13)6-11(5-8)15-7-10-2-1-3-14-10;;;/h1-7H;2*1H;/q-1;;;+2/p-2/b15-7+;;;
InChIKeyFNFJSRDUFYPVLH-HFUUWOKWSA-L
XLogP5.08
TPSA26.46 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.87
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-Chlorophenyl)-1H-pyrrole
CID 272425
1-(3-Chlorophenyl)-1H-pyrrole
CID 272421
2-[1-(2-Chlorophenyl)pyrrol-2-yl]ethanamine
CID 44388886
3-chloro-4-(1H-pyrrol-1-yl)aniline
CID 13768626
Pyrrolidine derivative 1
CID 86291149
1-(3,5-dichlorophenyl)-1H-pyrrole
CID 2776881
Benzenamine, 4-chloro-N-(2-pyridinylmethylene)-
CID 556300
1-(3,5-Dichlorophenyl)-2,5-dimethyl-1H-pyrrole
CID 10490192
1-(2,3,5,6-Tetrachlorophenyl)pyrrole
CID 2803775
2-[[1-(4-Chlorophenyl)pyrrol-2-yl]methylidene]propanedinitrile
CID 2741394
1-(2,3-Dichlorophenyl)pyrrole
CID 2776842
1-(2-chlorophenyl)-1H-pyrrole
CID 4715200

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-1-pyrrol-1-id-2-ylmethanimine;dichlorotitanium?
The IUPAC name of N-(3,5-dichlorophenyl)-1-pyrrol-1-id-2-ylmethanimine;dichlorotitanium (CID 23380103) is N-(3,5-dichlorophenyl)-1-pyrrol-1-id-2-ylmethanimine;dichlorotitanium.
What is the SMILES notation for N-(3,5-dichlorophenyl)-1-pyrrol-1-id-2-ylmethanimine;dichlorotitanium?
The canonical SMILES for N-(3,5-dichlorophenyl)-1-pyrrol-1-id-2-ylmethanimine;dichlorotitanium is Cl[Ti]Cl.Clc1cc(Cl)cc(/N=C/c2ccc[n-]2)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-1-pyrrol-1-id-2-ylmethanimine;dichlorotitanium?
The InChIKey is FNFJSRDUFYPVLH-HFUUWOKWSA-L. The full InChI is InChI=1S/C11H7Cl2N2.2ClH.Ti/c12-8-4-9(13)6-11(5-8)15-7-10-2-1-3-14-10;;;/h1-7H;2*1H;/q-1;;;+2/p-2/b15-7+;;;.
What are the key properties of N-(3,5-dichlorophenyl)-1-pyrrol-1-id-2-ylmethanimine;dichlorotitanium?
N-(3,5-dichlorophenyl)-1-pyrrol-1-id-2-ylmethanimine;dichlorotitanium has a molecular weight of 356.87 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-1-pyrrol-1-id-2-ylmethanimine;dichlorotitanium is sourced from PubChem (CID 23380103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).