CID 174374628

CBKN — CID 174374628

IUPAC—
SMILES[B].[C-]#N.[K+]
InChIInChI=1S/CN.B.K/c1-2;;/q-1;;+1
InChIKeyMWUDYTLFPFNHLP-UHFFFAOYSA-N
MW75.93 g/mol
LogP-3.28
Rot. Bonds

About CID 174374628

CID 174374628 (PubChem CID 174374628) has the molecular formula CBKN and a molecular weight of 75.93 g/mol.

Molecular Properties

Compound NameCID 174374628
PubChem CID174374628
Molecular FormulaCBKN
Molecular Weight75.93 g/mol
Exact Mass75.98
IUPAC Name—
SMILES[B].[C-]#N.[K+]
InChIInChI=1S/CN.B.K/c1-2;;/q-1;;+1
InChIKeyMWUDYTLFPFNHLP-UHFFFAOYSA-N
XLogP-3.28
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50075.93
LogP ≤ 5-3.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dipotassium;tetracyanide
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dipotassium;platinum;hexacyanide
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copper;potassium;tricyanide
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potassium;cyanide;hydroiodide
CID 172814512
pentapotassium;iron(2+);heptacyanide
CID 173150440
dipotassium;hydride;cyanide
CID 174503112
dipotassium;cobalt(2+);iron;hexacyanide
CID 170853485
potassium;hydride;nickel;cyanide
CID 173015262
CID 134877915
CID 134877915
dipotassium;cobalt;hydride;hexacyanide
CID 173208970
tripotassium;chlororuthenium(2+);pentacyanide
CID 173332112
tripotassium;cerium;hydride;iron(6+);hexacyanide
CID 174557778

Frequently Asked Questions

What is the IUPAC name of CID 174374628?
The IUPAC name of CID 174374628 (CID 174374628) is not available.
What is the SMILES notation for CID 174374628?
The canonical SMILES for CID 174374628 is [B].[C-]#N.[K+].
What is the InChIKey of CID 174374628?
The InChIKey is MWUDYTLFPFNHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/CN.B.K/c1-2;;/q-1;;+1.
What are the key properties of CID 174374628?
CID 174374628 has a molecular weight of 75.93 g/mol, XLogP of -3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174374628 is sourced from PubChem (CID 174374628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).