chromium(2+);cyclopenta-1,4-dien-1-ylbenzene;2-methanidylpyridine;dihydrochloride

C17H17Cl2CrN — CID 87276818

IUPACchromium(2+);cyclopenta-1,4-dien-1-ylbenzene;2-methanidylpyridine;dihydrochloride
SMILESCl.Cl.[C-]1=CC(c2ccccc2)=CC1.[CH2-]c1ccccn1.[Cr+2]
InChIInChI=1S/C11H9.C6H6N.2ClH.Cr/c1-2-6-10(7-3-1)11-8-4-5-9-11;1-6-4-2-3-5-7-6;;;/h1-3,6-9H,4H2;2-5H,1H2;2*1H;/q2*-1;;;+2
InChIKeyVSODPUVVQXZTKB-UHFFFAOYSA-N
MW358.23 g/mol
LogP4.94
Rot. Bonds1

About chromium(2+);cyclopenta-1,4-dien-1-ylbenzene;2-methanidylpyridine;dihydrochloride

chromium(2+);cyclopenta-1,4-dien-1-ylbenzene;2-methanidylpyridine;dihydrochloride (PubChem CID 87276818) has the molecular formula C17H17Cl2CrN and a molecular weight of 358.23 g/mol. Its IUPAC name is chromium(2+);cyclopenta-1,4-dien-1-ylbenzene;2-methanidylpyridine;dihydrochloride.

Molecular Properties

Compound Namechromium(2+);cyclopenta-1,4-dien-1-ylbenzene;2-methanidylpyridine;dihydrochloride
PubChem CID87276818
Molecular FormulaC17H17Cl2CrN
Molecular Weight358.23 g/mol
Exact Mass357.01
IUPAC Namechromium(2+);cyclopenta-1,4-dien-1-ylbenzene;2-methanidylpyridine;dihydrochloride
SMILESCl.Cl.[C-]1=CC(c2ccccc2)=CC1.[CH2-]c1ccccn1.[Cr+2]
InChIInChI=1S/C11H9.C6H6N.2ClH.Cr/c1-2-6-10(7-3-1)11-8-4-5-9-11;1-6-4-2-3-5-7-6;;;/h1-3,6-9H,4H2;2-5H,1H2;2*1H;/q2*-1;;;+2
InChIKeyVSODPUVVQXZTKB-UHFFFAOYSA-N
XLogP4.94
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.23
LogP ≤ 54.94
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

bis(cyclopenta-1,4-dien-1-ylbenzene);propan-2-ylidenetitanium(2+);dichloride
CID 22467766
bis(benzhydrylidenezirconium(2+));bis(cyclopenta-1,4-dien-1-ylbenzene);bis(9H-fluoren-9-ide);dichloride
CID 22910387
carbanide;cyclopenta-1,4-dien-1-ylbenzene;germylidenezirconium;2,3,5-trimethylcyclopenta-1,3-diene;dihydrochloride
CID 173283750
carbanide;2-cyclohexyl-3a,4-dihydro-1H-pentalen-4-ide;cyclopenta-1,4-dien-1-ylbenzene;ethane;tungsten(2+);yttrium
CID 165008086
2-[2-(4-phenylphenyl)ethenyl]pyridine
CID 66775790
2-phenylpyrimidine
CID 593578
hydrazine;2-phenylpyridine
CID 158673997
1,1'-biphenyl;2-bromopyridine
CID 175532742
bis(2-(4-phenylbenzene-6-id-1-yl)pyridine);platinum(2+)
CID 58939535
CID 172862296
CID 172862296
2-(2-pyridin-2-ylethenyl)pyridine
CID 161029843
2-(2-phenylethenyl)pyridine isocyanate
CID 86740696

Frequently Asked Questions

What is the IUPAC name of chromium(2+);cyclopenta-1,4-dien-1-ylbenzene;2-methanidylpyridine;dihydrochloride?
The IUPAC name of chromium(2+);cyclopenta-1,4-dien-1-ylbenzene;2-methanidylpyridine;dihydrochloride (CID 87276818) is chromium(2+);cyclopenta-1,4-dien-1-ylbenzene;2-methanidylpyridine;dihydrochloride.
What is the SMILES notation for chromium(2+);cyclopenta-1,4-dien-1-ylbenzene;2-methanidylpyridine;dihydrochloride?
The canonical SMILES for chromium(2+);cyclopenta-1,4-dien-1-ylbenzene;2-methanidylpyridine;dihydrochloride is Cl.Cl.[C-]1=CC(c2ccccc2)=CC1.[CH2-]c1ccccn1.[Cr+2].
What is the InChIKey of chromium(2+);cyclopenta-1,4-dien-1-ylbenzene;2-methanidylpyridine;dihydrochloride?
The InChIKey is VSODPUVVQXZTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9.C6H6N.2ClH.Cr/c1-2-6-10(7-3-1)11-8-4-5-9-11;1-6-4-2-3-5-7-6;;;/h1-3,6-9H,4H2;2-5H,1H2;2*1H;/q2*-1;;;+2.
What are the key properties of chromium(2+);cyclopenta-1,4-dien-1-ylbenzene;2-methanidylpyridine;dihydrochloride?
chromium(2+);cyclopenta-1,4-dien-1-ylbenzene;2-methanidylpyridine;dihydrochloride has a molecular weight of 358.23 g/mol, XLogP of 4.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(2+);cyclopenta-1,4-dien-1-ylbenzene;2-methanidylpyridine;dihydrochloride is sourced from PubChem (CID 87276818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).