3-dibromophosphanylpropanenitrile

C3H4Br2NP — CID 151056129

IUPAC3-dibromophosphanylpropanenitrile
SMILESN#CCCP(Br)Br
InChIInChI=1S/C3H4Br2NP/c4-7(5)3-1-2-6/h1,3H2
InChIKeyMFDYDTSMBIJDNE-UHFFFAOYSA-N
MW244.85 g/mol
LogP3.00
Rot. Bonds2

About 3-dibromophosphanylpropanenitrile

3-dibromophosphanylpropanenitrile (PubChem CID 151056129) has the molecular formula C3H4Br2NP and a molecular weight of 244.85 g/mol. Its IUPAC name is 3-dibromophosphanylpropanenitrile.

Molecular Properties

Compound Name3-dibromophosphanylpropanenitrile
PubChem CID151056129
Molecular FormulaC3H4Br2NP
Molecular Weight244.85 g/mol
Exact Mass242.84
IUPAC Name3-dibromophosphanylpropanenitrile
SMILESN#CCCP(Br)Br
InChIInChI=1S/C3H4Br2NP/c4-7(5)3-1-2-6/h1,3H2
InChIKeyMFDYDTSMBIJDNE-UHFFFAOYSA-N
XLogP3.00
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.85
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-dibromophosphanylpropanenitrile?
The IUPAC name of 3-dibromophosphanylpropanenitrile (CID 151056129) is 3-dibromophosphanylpropanenitrile.
What is the SMILES notation for 3-dibromophosphanylpropanenitrile?
The canonical SMILES for 3-dibromophosphanylpropanenitrile is N#CCCP(Br)Br.
What is the InChIKey of 3-dibromophosphanylpropanenitrile?
The InChIKey is MFDYDTSMBIJDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4Br2NP/c4-7(5)3-1-2-6/h1,3H2.
What are the key properties of 3-dibromophosphanylpropanenitrile?
3-dibromophosphanylpropanenitrile has a molecular weight of 244.85 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibromophosphanylpropanenitrile is sourced from PubChem (CID 151056129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).