[chloro(cyano)phosphanyl]formonitrile

C2ClN2P — CID 23414008

IUPAC[chloro(cyano)phosphanyl]formonitrile
SMILESN#CP(Cl)C#N
InChIInChI=1S/C2ClN2P/c3-6(1-4)2-5
InChIKeyQSVURHOKABAUHU-UHFFFAOYSA-N
MW118.46 g/mol
LogP1.58
Rot. Bonds

About [chloro(cyano)phosphanyl]formonitrile

[chloro(cyano)phosphanyl]formonitrile (PubChem CID 23414008) has the molecular formula C2ClN2P and a molecular weight of 118.46 g/mol. Its IUPAC name is [chloro(cyano)phosphanyl]formonitrile.

Molecular Properties

Compound Name[chloro(cyano)phosphanyl]formonitrile
PubChem CID23414008
Molecular FormulaC2ClN2P
Molecular Weight118.46 g/mol
Exact Mass117.95
IUPAC Name[chloro(cyano)phosphanyl]formonitrile
SMILESN#CP(Cl)C#N
InChIInChI=1S/C2ClN2P/c3-6(1-4)2-5
InChIKeyQSVURHOKABAUHU-UHFFFAOYSA-N
XLogP1.58
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.46
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [chloro(cyano)phosphanyl]formonitrile?
The IUPAC name of [chloro(cyano)phosphanyl]formonitrile (CID 23414008) is [chloro(cyano)phosphanyl]formonitrile.
What is the SMILES notation for [chloro(cyano)phosphanyl]formonitrile?
The canonical SMILES for [chloro(cyano)phosphanyl]formonitrile is N#CP(Cl)C#N.
What is the InChIKey of [chloro(cyano)phosphanyl]formonitrile?
The InChIKey is QSVURHOKABAUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2ClN2P/c3-6(1-4)2-5.
What are the key properties of [chloro(cyano)phosphanyl]formonitrile?
[chloro(cyano)phosphanyl]formonitrile has a molecular weight of 118.46 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(cyano)phosphanyl]formonitrile is sourced from PubChem (CID 23414008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).