(9R)-9-phenylphosphindolo[2,3-b]pyridine 9-oxide

C17H12NOP — CID 139135915

IUPAC(9R)-9-phenylphosphindolo[2,3-b]pyridine 9-oxide
SMILESO=[P@]1(c2ccccc2)c2ccccc2-c2cccnc21
InChIInChI=1S/C17H12NOP/c19-20(13-7-2-1-3-8-13)16-11-5-4-9-14(16)15-10-6-12-18-17(15)20/h1-12H/t20-/m1/s1
InChIKeyCTBWZDMLHKAJOO-HXUWFJFHSA-N
MW277.26 g/mol
LogP2.70
Rot. Bonds1

About (9R)-9-phenylphosphindolo[2,3-b]pyridine 9-oxide

(9R)-9-phenylphosphindolo[2,3-b]pyridine 9-oxide (PubChem CID 139135915) has the molecular formula C17H12NOP and a molecular weight of 277.26 g/mol. Its IUPAC name is (9R)-9-phenylphosphindolo[2,3-b]pyridine 9-oxide.

Molecular Properties

Compound Name(9R)-9-phenylphosphindolo[2,3-b]pyridine 9-oxide
PubChem CID139135915
Molecular FormulaC17H12NOP
Molecular Weight277.26 g/mol
Exact Mass277.07
IUPAC Name(9R)-9-phenylphosphindolo[2,3-b]pyridine 9-oxide
SMILESO=[P@]1(c2ccccc2)c2ccccc2-c2cccnc21
InChIInChI=1S/C17H12NOP/c19-20(13-7-2-1-3-8-13)16-11-5-4-9-14(16)15-10-6-12-18-17(15)20/h1-12H/t20-/m1/s1
InChIKeyCTBWZDMLHKAJOO-HXUWFJFHSA-N
XLogP2.70
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 52.70
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 (9R)-9-phenylphosphindolo[2,3-b]pyridine 9-oxide?
The IUPAC name of (9R)-9-phenylphosphindolo[2,3-b]pyridine 9-oxide (CID 139135915) is (9R)-9-phenylphosphindolo[2,3-b]pyridine 9-oxide.
What is the SMILES notation for (9R)-9-phenylphosphindolo[2,3-b]pyridine 9-oxide?
The canonical SMILES for (9R)-9-phenylphosphindolo[2,3-b]pyridine 9-oxide is O=[P@]1(c2ccccc2)c2ccccc2-c2cccnc21.
What is the InChIKey of (9R)-9-phenylphosphindolo[2,3-b]pyridine 9-oxide?
The InChIKey is CTBWZDMLHKAJOO-HXUWFJFHSA-N. The full InChI is InChI=1S/C17H12NOP/c19-20(13-7-2-1-3-8-13)16-11-5-4-9-14(16)15-10-6-12-18-17(15)20/h1-12H/t20-/m1/s1.
What are the key properties of (9R)-9-phenylphosphindolo[2,3-b]pyridine 9-oxide?
(9R)-9-phenylphosphindolo[2,3-b]pyridine 9-oxide has a molecular weight of 277.26 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-9-phenylphosphindolo[2,3-b]pyridine 9-oxide is sourced from PubChem (CID 139135915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).