bromo-(furo[3,2-c]pyridin-2-ylmethyl)-triphenyl-λ5-phosphane

C26H21BrNOP — CID 140535120

IUPACbromo-(furo[3,2-c]pyridin-2-ylmethyl)-triphenyl-λ5-phosphane
SMILESBrP(Cc1cc2cnccc2o1)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H21BrNOP/c27-30(23-10-4-1-5-11-23,24-12-6-2-7-13-24,25-14-8-3-9-15-25)20-22-18-21-19-28-17-16-26(21)29-22/h1-19H,20H2
InChIKeyNRFXKCFGPISHBA-UHFFFAOYSA-N
MW474.34 g/mol
LogP6.17
Rot. Bonds5

About bromo-(furo[3,2-c]pyridin-2-ylmethyl)-triphenyl-λ5-phosphane

bromo-(furo[3,2-c]pyridin-2-ylmethyl)-triphenyl-λ5-phosphane (PubChem CID 140535120) has the molecular formula C26H21BrNOP and a molecular weight of 474.34 g/mol. Its IUPAC name is bromo-(furo[3,2-c]pyridin-2-ylmethyl)-triphenyl-λ5-phosphane.

Molecular Properties

Compound Namebromo-(furo[3,2-c]pyridin-2-ylmethyl)-triphenyl-λ5-phosphane
PubChem CID140535120
Molecular FormulaC26H21BrNOP
Molecular Weight474.34 g/mol
Exact Mass473.05
IUPAC Namebromo-(furo[3,2-c]pyridin-2-ylmethyl)-triphenyl-λ5-phosphane
SMILESBrP(Cc1cc2cnccc2o1)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H21BrNOP/c27-30(23-10-4-1-5-11-23,24-12-6-2-7-13-24,25-14-8-3-9-15-25)20-22-18-21-19-28-17-16-26(21)29-22/h1-19H,20H2
InChIKeyNRFXKCFGPISHBA-UHFFFAOYSA-N
XLogP6.17
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.34
LogP ≤ 56.17
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 bromo-(furo[3,2-c]pyridin-2-ylmethyl)-triphenyl-λ5-phosphane?
The IUPAC name of bromo-(furo[3,2-c]pyridin-2-ylmethyl)-triphenyl-λ5-phosphane (CID 140535120) is bromo-(furo[3,2-c]pyridin-2-ylmethyl)-triphenyl-λ5-phosphane.
What is the SMILES notation for bromo-(furo[3,2-c]pyridin-2-ylmethyl)-triphenyl-λ5-phosphane?
The canonical SMILES for bromo-(furo[3,2-c]pyridin-2-ylmethyl)-triphenyl-λ5-phosphane is BrP(Cc1cc2cnccc2o1)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of bromo-(furo[3,2-c]pyridin-2-ylmethyl)-triphenyl-λ5-phosphane?
The InChIKey is NRFXKCFGPISHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21BrNOP/c27-30(23-10-4-1-5-11-23,24-12-6-2-7-13-24,25-14-8-3-9-15-25)20-22-18-21-19-28-17-16-26(21)29-22/h1-19H,20H2.
What are the key properties of bromo-(furo[3,2-c]pyridin-2-ylmethyl)-triphenyl-λ5-phosphane?
bromo-(furo[3,2-c]pyridin-2-ylmethyl)-triphenyl-λ5-phosphane has a molecular weight of 474.34 g/mol, XLogP of 6.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-(furo[3,2-c]pyridin-2-ylmethyl)-triphenyl-λ5-phosphane is sourced from PubChem (CID 140535120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).