phosphane;3-prop-2-enyl-2-pyridin-2-ylpyridine

C13H15N2P — CID 175044718

IUPACphosphane;3-prop-2-enyl-2-pyridin-2-ylpyridine
SMILESC=CCc1cccnc1-c1ccccn1.P
InChIInChI=1S/C13H12N2.H3P/c1-2-6-11-7-5-10-15-13(11)12-8-3-4-9-14-12;/h2-5,7-10H,1,6H2;1H3
InChIKeyHDRIVBYOLCSRQB-UHFFFAOYSA-N
MW230.25 g/mol
LogP2.93
Rot. Bonds3

About phosphane;3-prop-2-enyl-2-pyridin-2-ylpyridine

phosphane;3-prop-2-enyl-2-pyridin-2-ylpyridine (PubChem CID 175044718) has the molecular formula C13H15N2P and a molecular weight of 230.25 g/mol. Its IUPAC name is phosphane;3-prop-2-enyl-2-pyridin-2-ylpyridine.

Molecular Properties

Compound Namephosphane;3-prop-2-enyl-2-pyridin-2-ylpyridine
PubChem CID175044718
Molecular FormulaC13H15N2P
Molecular Weight230.25 g/mol
Exact Mass230.10
IUPAC Namephosphane;3-prop-2-enyl-2-pyridin-2-ylpyridine
SMILESC=CCc1cccnc1-c1ccccn1.P
InChIInChI=1S/C13H12N2.H3P/c1-2-6-11-7-5-10-15-13(11)12-8-3-4-9-14-12;/h2-5,7-10H,1,6H2;1H3
InChIKeyHDRIVBYOLCSRQB-UHFFFAOYSA-N
XLogP2.93
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phosphane;3-prop-2-enyl-2-pyridin-2-ylpyridine?
The IUPAC name of phosphane;3-prop-2-enyl-2-pyridin-2-ylpyridine (CID 175044718) is phosphane;3-prop-2-enyl-2-pyridin-2-ylpyridine.
What is the SMILES notation for phosphane;3-prop-2-enyl-2-pyridin-2-ylpyridine?
The canonical SMILES for phosphane;3-prop-2-enyl-2-pyridin-2-ylpyridine is C=CCc1cccnc1-c1ccccn1.P.
What is the InChIKey of phosphane;3-prop-2-enyl-2-pyridin-2-ylpyridine?
The InChIKey is HDRIVBYOLCSRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2.H3P/c1-2-6-11-7-5-10-15-13(11)12-8-3-4-9-14-12;/h2-5,7-10H,1,6H2;1H3.
What are the key properties of phosphane;3-prop-2-enyl-2-pyridin-2-ylpyridine?
phosphane;3-prop-2-enyl-2-pyridin-2-ylpyridine has a molecular weight of 230.25 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phosphane;3-prop-2-enyl-2-pyridin-2-ylpyridine is sourced from PubChem (CID 175044718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).