chromium;pyridine-2,3-diimine

C5H5CrN3 — CID 175123390

IUPACchromium;pyridine-2,3-diimine
SMILES[Cr].[H]/N=C1\N=CC=C\C1=N/[H]
InChIInChI=1S/C5H5N3.Cr/c6-4-2-1-3-8-5(4)7;/h1-3,6-7H;/b6-4+,7-5-;
InChIKeyKTBMCRSBQFVWEX-XGGDKXJTSA-N
MW159.11 g/mol
LogP0.62
Rot. Bonds

About chromium;pyridine-2,3-diimine

chromium;pyridine-2,3-diimine (PubChem CID 175123390) has the molecular formula C5H5CrN3 and a molecular weight of 159.11 g/mol. Its IUPAC name is chromium;pyridine-2,3-diimine.

Molecular Properties

Compound Namechromium;pyridine-2,3-diimine
PubChem CID175123390
Molecular FormulaC5H5CrN3
Molecular Weight159.11 g/mol
Exact Mass158.99
IUPAC Namechromium;pyridine-2,3-diimine
SMILES[Cr].[H]/N=C1\N=CC=C\C1=N/[H]
InChIInChI=1S/C5H5N3.Cr/c6-4-2-1-3-8-5(4)7;/h1-3,6-7H;/b6-4+,7-5-;
InChIKeyKTBMCRSBQFVWEX-XGGDKXJTSA-N
XLogP0.62
TPSA60.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.11
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chromium;pyridine-2,3-diimine?
The IUPAC name of chromium;pyridine-2,3-diimine (CID 175123390) is chromium;pyridine-2,3-diimine.
What is the SMILES notation for chromium;pyridine-2,3-diimine?
The canonical SMILES for chromium;pyridine-2,3-diimine is [Cr].[H]/N=C1\N=CC=C\C1=N/[H].
What is the InChIKey of chromium;pyridine-2,3-diimine?
The InChIKey is KTBMCRSBQFVWEX-XGGDKXJTSA-N. The full InChI is InChI=1S/C5H5N3.Cr/c6-4-2-1-3-8-5(4)7;/h1-3,6-7H;/b6-4+,7-5-;.
What are the key properties of chromium;pyridine-2,3-diimine?
chromium;pyridine-2,3-diimine has a molecular weight of 159.11 g/mol, XLogP of 0.62, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chromium;pyridine-2,3-diimine is sourced from PubChem (CID 175123390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).