6-[(5-formyl-2-pyridinyl)-pyridin-2-ylphosphanyl]pyridine-3-carbaldehyde

C17H12N3O2P — CID 146390094

IUPAC6-[(5-formyl-2-pyridinyl)-pyridin-2-ylphosphanyl]pyridine-3-carbaldehyde
SMILESO=Cc1ccc(P(c2ccccn2)c2ccc(C=O)cn2)nc1
InChIInChI=1S/C17H12N3O2P/c21-11-13-4-6-16(19-9-13)23(15-3-1-2-8-18-15)17-7-5-14(12-22)10-20-17/h1-12H
InChIKeyCJHUBPCDCDMBKT-UHFFFAOYSA-N
MW321.28 g/mol
LogP1.25
Rot. Bonds5

About 6-[(5-formyl-2-pyridinyl)-pyridin-2-ylphosphanyl]pyridine-3-carbaldehyde

6-[(5-formyl-2-pyridinyl)-pyridin-2-ylphosphanyl]pyridine-3-carbaldehyde (PubChem CID 146390094) has the molecular formula C17H12N3O2P and a molecular weight of 321.28 g/mol. Its IUPAC name is 6-[(5-formyl-2-pyridinyl)-pyridin-2-ylphosphanyl]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[(5-formyl-2-pyridinyl)-pyridin-2-ylphosphanyl]pyridine-3-carbaldehyde
PubChem CID146390094
Molecular FormulaC17H12N3O2P
Molecular Weight321.28 g/mol
Exact Mass321.07
IUPAC Name6-[(5-formyl-2-pyridinyl)-pyridin-2-ylphosphanyl]pyridine-3-carbaldehyde
SMILESO=Cc1ccc(P(c2ccccn2)c2ccc(C=O)cn2)nc1
InChIInChI=1S/C17H12N3O2P/c21-11-13-4-6-16(19-9-13)23(15-3-1-2-8-18-15)17-7-5-14(12-22)10-20-17/h1-12H
InChIKeyCJHUBPCDCDMBKT-UHFFFAOYSA-N
XLogP1.25
TPSA72.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.28
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-formyl-2-pyridinyl)-pyridin-2-ylphosphanyl]pyridine-3-carbaldehyde?
The IUPAC name of 6-[(5-formyl-2-pyridinyl)-pyridin-2-ylphosphanyl]pyridine-3-carbaldehyde (CID 146390094) is 6-[(5-formyl-2-pyridinyl)-pyridin-2-ylphosphanyl]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-[(5-formyl-2-pyridinyl)-pyridin-2-ylphosphanyl]pyridine-3-carbaldehyde?
The canonical SMILES for 6-[(5-formyl-2-pyridinyl)-pyridin-2-ylphosphanyl]pyridine-3-carbaldehyde is O=Cc1ccc(P(c2ccccn2)c2ccc(C=O)cn2)nc1.
What is the InChIKey of 6-[(5-formyl-2-pyridinyl)-pyridin-2-ylphosphanyl]pyridine-3-carbaldehyde?
The InChIKey is CJHUBPCDCDMBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N3O2P/c21-11-13-4-6-16(19-9-13)23(15-3-1-2-8-18-15)17-7-5-14(12-22)10-20-17/h1-12H.
What are the key properties of 6-[(5-formyl-2-pyridinyl)-pyridin-2-ylphosphanyl]pyridine-3-carbaldehyde?
6-[(5-formyl-2-pyridinyl)-pyridin-2-ylphosphanyl]pyridine-3-carbaldehyde has a molecular weight of 321.28 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-formyl-2-pyridinyl)-pyridin-2-ylphosphanyl]pyridine-3-carbaldehyde is sourced from PubChem (CID 146390094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).