[(1S,2S)-1-phenyl-2-phosphanyl-2-pyridin-2-ylethyl]phosphane

C13H15NP2 — CID 101016472

IUPAC[(1S,2S)-1-phenyl-2-phosphanyl-2-pyridin-2-ylethyl]phosphane
SMILESP[C@@H](c1ccccc1)[C@@H](P)c1ccccn1
InChIInChI=1S/C13H15NP2/c15-12(10-6-2-1-3-7-10)13(16)11-8-4-5-9-14-11/h1-9,12-13H,15-16H2/t12-,13-/m0/s1
InChIKeyIAFNIAMACZNXDP-STQMWFEESA-N
MW247.22 g/mol
LogP3.61
Rot. Bonds3

About [(1S,2S)-1-phenyl-2-phosphanyl-2-pyridin-2-ylethyl]phosphane

[(1S,2S)-1-phenyl-2-phosphanyl-2-pyridin-2-ylethyl]phosphane (PubChem CID 101016472) has the molecular formula C13H15NP2 and a molecular weight of 247.22 g/mol. Its IUPAC name is [(1S,2S)-1-phenyl-2-phosphanyl-2-pyridin-2-ylethyl]phosphane.

Molecular Properties

Compound Name[(1S,2S)-1-phenyl-2-phosphanyl-2-pyridin-2-ylethyl]phosphane
PubChem CID101016472
Molecular FormulaC13H15NP2
Molecular Weight247.22 g/mol
Exact Mass247.07
IUPAC Name[(1S,2S)-1-phenyl-2-phosphanyl-2-pyridin-2-ylethyl]phosphane
SMILESP[C@@H](c1ccccc1)[C@@H](P)c1ccccn1
InChIInChI=1S/C13H15NP2/c15-12(10-6-2-1-3-7-10)13(16)11-8-4-5-9-14-11/h1-9,12-13H,15-16H2/t12-,13-/m0/s1
InChIKeyIAFNIAMACZNXDP-STQMWFEESA-N
XLogP3.61
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[phenyl(pyridin-2-yl)methyl]pyridine
CID 4110137
ethane;2-(1-phenylethyl)pyridine
CID 143899083
N,N-dimethyl-2-phenyl-2-pyridin-2-ylethanamine;hydrochloride
CID 54610221
cumene;ethane;2-propan-2-ylpyridine
CID 160627938
2-(dipyridin-2-ylmethyl)pyridine
CID 10332212
phenyl(pyridin-2-yl)methanesulfonamide
CID 62085635
3-phenyl-3-pyridin-2-ylpropanenitrile
CID 10465646
2-[(2-methylphenyl)-phenylmethyl]pyridine
CID 170986908
2-[phenyl(pyridin-2-yl)methyl]guanidine
CID 54045340
N-methyl-1-phenyl-2-pyridin-2-ylpropan-1-amine
CID 66447604
1-methoxy-N,N-dimethyl-1-pyridin-2-ylmethanamine
CID 116914548
(3R)-N-methoxy-N-methyl-3-phenyl-3-pyridin-2-ylpropan-1-amine
CID 125488138

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-1-phenyl-2-phosphanyl-2-pyridin-2-ylethyl]phosphane?
The IUPAC name of [(1S,2S)-1-phenyl-2-phosphanyl-2-pyridin-2-ylethyl]phosphane (CID 101016472) is [(1S,2S)-1-phenyl-2-phosphanyl-2-pyridin-2-ylethyl]phosphane.
What is the SMILES notation for [(1S,2S)-1-phenyl-2-phosphanyl-2-pyridin-2-ylethyl]phosphane?
The canonical SMILES for [(1S,2S)-1-phenyl-2-phosphanyl-2-pyridin-2-ylethyl]phosphane is P[C@@H](c1ccccc1)[C@@H](P)c1ccccn1.
What is the InChIKey of [(1S,2S)-1-phenyl-2-phosphanyl-2-pyridin-2-ylethyl]phosphane?
The InChIKey is IAFNIAMACZNXDP-STQMWFEESA-N. The full InChI is InChI=1S/C13H15NP2/c15-12(10-6-2-1-3-7-10)13(16)11-8-4-5-9-14-11/h1-9,12-13H,15-16H2/t12-,13-/m0/s1.
What are the key properties of [(1S,2S)-1-phenyl-2-phosphanyl-2-pyridin-2-ylethyl]phosphane?
[(1S,2S)-1-phenyl-2-phosphanyl-2-pyridin-2-ylethyl]phosphane has a molecular weight of 247.22 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-1-phenyl-2-phosphanyl-2-pyridin-2-ylethyl]phosphane is sourced from PubChem (CID 101016472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).