CID 23417379

C3H3Cl3N2P- — CID 23417379

IUPAC—
SMILESC[P-](Cl)(Cl)(Cl)(C#N)C#N
InChIInChI=1S/C3H3Cl3N2P/c1-9(4,5,6,2-7)3-8/h1H3/q-1
InChIKeyYSKYKKOGZVJFIA-UHFFFAOYSA-N
MW204.40 g/mol
LogP3.13
Rot. Bonds

About CID 23417379

CID 23417379 (PubChem CID 23417379) has the molecular formula C3H3Cl3N2P- and a molecular weight of 204.40 g/mol.

Molecular Properties

Compound NameCID 23417379
PubChem CID23417379
Molecular FormulaC3H3Cl3N2P-
Molecular Weight204.40 g/mol
Exact Mass202.91
IUPAC Name—
SMILESC[P-](Cl)(Cl)(Cl)(C#N)C#N
InChIInChI=1S/C3H3Cl3N2P/c1-9(4,5,6,2-7)3-8/h1H3/q-1
InChIKeyYSKYKKOGZVJFIA-UHFFFAOYSA-N
XLogP3.13
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.40
LogP ≤ 53.13
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 CID 23417379?
The IUPAC name of CID 23417379 (CID 23417379) is not available.
What is the SMILES notation for CID 23417379?
The canonical SMILES for CID 23417379 is C[P-](Cl)(Cl)(Cl)(C#N)C#N.
What is the InChIKey of CID 23417379?
The InChIKey is YSKYKKOGZVJFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3Cl3N2P/c1-9(4,5,6,2-7)3-8/h1H3/q-1.
What are the key properties of CID 23417379?
CID 23417379 has a molecular weight of 204.40 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23417379 is sourced from PubChem (CID 23417379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).