CID 87451139

C4B2N4Zn — CID 87451139

IUPAC—
SMILESN#C[B-]C#N.N#C[B-]C#N.[Zn+2]
InChIInChI=1S/2C2BN2.Zn/c2*4-1-3-2-5;/q2*-1;+2
InChIKeyBHLIXQLZEIRXKB-UHFFFAOYSA-N
MW191.09 g/mol
LogP-0.70
Rot. Bonds

About CID 87451139

CID 87451139 (PubChem CID 87451139) has the molecular formula C4B2N4Zn and a molecular weight of 191.09 g/mol.

Molecular Properties

Compound NameCID 87451139
PubChem CID87451139
Molecular FormulaC4B2N4Zn
Molecular Weight191.09 g/mol
Exact Mass189.96
IUPAC Name—
SMILESN#C[B-]C#N.N#C[B-]C#N.[Zn+2]
InChIInChI=1S/2C2BN2.Zn/c2*4-1-3-2-5;/q2*-1;+2
InChIKeyBHLIXQLZEIRXKB-UHFFFAOYSA-N
XLogP-0.70
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.09
LogP ≤ 5-0.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-dichloropropanenitrile
CID 5058831
2,3,3-trichloro-2-methylpropanenitrile
CID 86218620
zinc;cyanoboranuide;dichloride
CID 131717308
scandium;hexahydrate
CID 159475498
CID 134904447
CID 134904447
disodium;2-[bis(sulfanyl)methylidene]propanedinitrile;hydride
CID 173344541
CID 14173053
CID 14173053
NCN radical
CID 5384683
(2S)-2-amino-2-chloropropanenitrile;hydrochloride
CID 88739568
CID 131868800
CID 131868800
disodium;ethene-1,1,2,2-tetracarbonitrile;hydride
CID 173357424
acetonitrile;dichlorocobalt
CID 158125017

Frequently Asked Questions

What is the IUPAC name of CID 87451139?
The IUPAC name of CID 87451139 (CID 87451139) is not available.
What is the SMILES notation for CID 87451139?
The canonical SMILES for CID 87451139 is N#C[B-]C#N.N#C[B-]C#N.[Zn+2].
What is the InChIKey of CID 87451139?
The InChIKey is BHLIXQLZEIRXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2BN2.Zn/c2*4-1-3-2-5;/q2*-1;+2.
What are the key properties of CID 87451139?
CID 87451139 has a molecular weight of 191.09 g/mol, XLogP of -0.70, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87451139 is sourced from PubChem (CID 87451139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).