CID 14173053

C3Cl6N2P- — CID 14173053

IUPAC—
SMILESN#C[P-](Cl)(Cl)(Cl)(C#N)C(Cl)(Cl)Cl
InChIInChI=1S/C3Cl6N2P/c4-3(5,6)12(7,8,9,1-10)2-11/q-1
InChIKeyJHVANBGECXQLKP-UHFFFAOYSA-N
MW307.74 g/mol
LogP4.83
Rot. Bonds

About CID 14173053

CID 14173053 (PubChem CID 14173053) has the molecular formula C3Cl6N2P- and a molecular weight of 307.74 g/mol.

Molecular Properties

Compound NameCID 14173053
PubChem CID14173053
Molecular FormulaC3Cl6N2P-
Molecular Weight307.74 g/mol
Exact Mass304.79
IUPAC Name—
SMILESN#C[P-](Cl)(Cl)(Cl)(C#N)C(Cl)(Cl)Cl
InChIInChI=1S/C3Cl6N2P/c4-3(5,6)12(7,8,9,1-10)2-11/q-1
InChIKeyJHVANBGECXQLKP-UHFFFAOYSA-N
XLogP4.83
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 14173053?
The IUPAC name of CID 14173053 (CID 14173053) is not available.
What is the SMILES notation for CID 14173053?
The canonical SMILES for CID 14173053 is N#C[P-](Cl)(Cl)(Cl)(C#N)C(Cl)(Cl)Cl.
What is the InChIKey of CID 14173053?
The InChIKey is JHVANBGECXQLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3Cl6N2P/c4-3(5,6)12(7,8,9,1-10)2-11/q-1.
What are the key properties of CID 14173053?
CID 14173053 has a molecular weight of 307.74 g/mol, XLogP of 4.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 14173053 is sourced from PubChem (CID 14173053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).