(S)-diphenylphosphoryl(pyridin-3-yl)methanol

C18H16NO2P — CID 736548

IUPAC(S)-diphenylphosphoryl(pyridin-3-yl)methanol
SMILESO=P(c1ccccc1)(c1ccccc1)[C@H](O)c1cccnc1
InChIInChI=1S/C18H16NO2P/c20-18(15-8-7-13-19-14-15)22(21,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,18,20H/t18-/m0/s1
InChIKeyZBYWXQPLJLKIOE-SFHVURJKSA-N
MW309.31 g/mol
LogP3.09
Rot. Bonds4

About (S)-diphenylphosphoryl(pyridin-3-yl)methanol

(S)-diphenylphosphoryl(pyridin-3-yl)methanol (PubChem CID 736548) has the molecular formula C18H16NO2P and a molecular weight of 309.31 g/mol. Its IUPAC name is (S)-diphenylphosphoryl(pyridin-3-yl)methanol.

Molecular Properties

Compound Name(S)-diphenylphosphoryl(pyridin-3-yl)methanol
PubChem CID736548
Molecular FormulaC18H16NO2P
Molecular Weight309.31 g/mol
Exact Mass309.09
IUPAC Name(S)-diphenylphosphoryl(pyridin-3-yl)methanol
SMILESO=P(c1ccccc1)(c1ccccc1)[C@H](O)c1cccnc1
InChIInChI=1S/C18H16NO2P/c20-18(15-8-7-13-19-14-15)22(21,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,18,20H/t18-/m0/s1
InChIKeyZBYWXQPLJLKIOE-SFHVURJKSA-N
XLogP3.09
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(R)-diphenylphosphoryl(pyridin-3-yl)methanol
CID 736549
2,2-dipyridin-3-ylethanol
CID 57450821
2-amino-2-phenyl-1-pyridin-3-ylethanol
CID 62720014
(1R)-2-phenyl-1-pyridin-3-ylethanol
CID 93312258
(3-hydroxy-3-pyridin-3-ylprop-1-en-2-yl)phosphonic acid
CID 18757044
(R)-[[4-(dimethylamino)phenyl]-methoxyphosphoryl]-pyridin-3-ylmethanol
CID 11860680
benzyl (2R)-2-[[diphenylphosphoryl(pyridin-3-yl)methyl]amino]-3-phenylpropanoate
CID 10650237
(2R)-2-bromo-2-pyridin-3-ylacetic acid
CID 95212347
1-[hydroxy(pyridin-3-yl)methyl]cyclopropane-1-carboxylic acid
CID 116836352
3-[(1R)-1-phenylethyl]pyridine
CID 13287121
1-hydroxy-1-pyridin-3-ylpropan-2-one
CID 12549519
(2R)-N-(4-anilinophenyl)-2-hydroxy-2-pyridin-3-ylacetamide
CID 95763353

Frequently Asked Questions

What is the IUPAC name of (S)-diphenylphosphoryl(pyridin-3-yl)methanol?
The IUPAC name of (S)-diphenylphosphoryl(pyridin-3-yl)methanol (CID 736548) is (S)-diphenylphosphoryl(pyridin-3-yl)methanol.
What is the SMILES notation for (S)-diphenylphosphoryl(pyridin-3-yl)methanol?
The canonical SMILES for (S)-diphenylphosphoryl(pyridin-3-yl)methanol is O=P(c1ccccc1)(c1ccccc1)[C@H](O)c1cccnc1.
What is the InChIKey of (S)-diphenylphosphoryl(pyridin-3-yl)methanol?
The InChIKey is ZBYWXQPLJLKIOE-SFHVURJKSA-N. The full InChI is InChI=1S/C18H16NO2P/c20-18(15-8-7-13-19-14-15)22(21,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,18,20H/t18-/m0/s1.
What are the key properties of (S)-diphenylphosphoryl(pyridin-3-yl)methanol?
(S)-diphenylphosphoryl(pyridin-3-yl)methanol has a molecular weight of 309.31 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-diphenylphosphoryl(pyridin-3-yl)methanol is sourced from PubChem (CID 736548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).