1-[4-chloro-6-(phenyliminomethyl)-2-pyridinyl]-N-phenylmethanimine;iron(3+);trichloride

C19H14Cl4FeN3 — CID 70012907

IUPAC1-[4-chloro-6-(phenyliminomethyl)-2-pyridinyl]-N-phenylmethanimine;iron(3+);trichloride
SMILESClc1cc(/C=N/c2ccccc2)nc(/C=N/c2ccccc2)c1.[Cl-].[Cl-].[Cl-].[Fe+3]
InChIInChI=1S/C19H14ClN3.3ClH.Fe/c20-15-11-18(13-21-16-7-3-1-4-8-16)23-19(12-15)14-22-17-9-5-2-6-10-17;;;;/h1-14H;3*1H;/q;;;;+3/p-3/b21-13+,22-14+;;;;
InChIKeyCWVZXIHQMKCBLI-YSVHZKDNSA-K
MW482.00 g/mol
LogP-3.75
Rot. Bonds4

About 1-[4-chloro-6-(phenyliminomethyl)-2-pyridinyl]-N-phenylmethanimine;iron(3+);trichloride

1-[4-chloro-6-(phenyliminomethyl)-2-pyridinyl]-N-phenylmethanimine;iron(3+);trichloride (PubChem CID 70012907) has the molecular formula C19H14Cl4FeN3 and a molecular weight of 482.00 g/mol. Its IUPAC name is 1-[4-chloro-6-(phenyliminomethyl)-2-pyridinyl]-N-phenylmethanimine;iron(3+);trichloride.

Molecular Properties

Compound Name1-[4-chloro-6-(phenyliminomethyl)-2-pyridinyl]-N-phenylmethanimine;iron(3+);trichloride
PubChem CID70012907
Molecular FormulaC19H14Cl4FeN3
Molecular Weight482.00 g/mol
Exact Mass479.93
IUPAC Name1-[4-chloro-6-(phenyliminomethyl)-2-pyridinyl]-N-phenylmethanimine;iron(3+);trichloride
SMILESClc1cc(/C=N/c2ccccc2)nc(/C=N/c2ccccc2)c1.[Cl-].[Cl-].[Cl-].[Fe+3]
InChIInChI=1S/C19H14ClN3.3ClH.Fe/c20-15-11-18(13-21-16-7-3-1-4-8-16)23-19(12-15)14-22-17-9-5-2-6-10-17;;;;/h1-14H;3*1H;/q;;;;+3/p-3/b21-13+,22-14+;;;;
InChIKeyCWVZXIHQMKCBLI-YSVHZKDNSA-K
XLogP-3.75
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.00
LogP ≤ 5-3.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-6-(phenyliminomethyl)-2-pyridinyl]-N-phenylmethanimine;iron(3+);trichloride?
The IUPAC name of 1-[4-chloro-6-(phenyliminomethyl)-2-pyridinyl]-N-phenylmethanimine;iron(3+);trichloride (CID 70012907) is 1-[4-chloro-6-(phenyliminomethyl)-2-pyridinyl]-N-phenylmethanimine;iron(3+);trichloride.
What is the SMILES notation for 1-[4-chloro-6-(phenyliminomethyl)-2-pyridinyl]-N-phenylmethanimine;iron(3+);trichloride?
The canonical SMILES for 1-[4-chloro-6-(phenyliminomethyl)-2-pyridinyl]-N-phenylmethanimine;iron(3+);trichloride is Clc1cc(/C=N/c2ccccc2)nc(/C=N/c2ccccc2)c1.[Cl-].[Cl-].[Cl-].[Fe+3].
What is the InChIKey of 1-[4-chloro-6-(phenyliminomethyl)-2-pyridinyl]-N-phenylmethanimine;iron(3+);trichloride?
The InChIKey is CWVZXIHQMKCBLI-YSVHZKDNSA-K. The full InChI is InChI=1S/C19H14ClN3.3ClH.Fe/c20-15-11-18(13-21-16-7-3-1-4-8-16)23-19(12-15)14-22-17-9-5-2-6-10-17;;;;/h1-14H;3*1H;/q;;;;+3/p-3/b21-13+,22-14+;;;;.
What are the key properties of 1-[4-chloro-6-(phenyliminomethyl)-2-pyridinyl]-N-phenylmethanimine;iron(3+);trichloride?
1-[4-chloro-6-(phenyliminomethyl)-2-pyridinyl]-N-phenylmethanimine;iron(3+);trichloride has a molecular weight of 482.00 g/mol, XLogP of -3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-6-(phenyliminomethyl)-2-pyridinyl]-N-phenylmethanimine;iron(3+);trichloride is sourced from PubChem (CID 70012907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).