6-[benzyl(phosphanyl)amino]pyridine-3-carbaldehyde

C13H13N2OP — CID 143399607

IUPAC6-[benzyl(phosphanyl)amino]pyridine-3-carbaldehyde
SMILESO=Cc1ccc(N(P)Cc2ccccc2)nc1
InChIInChI=1S/C13H13N2OP/c16-10-12-6-7-13(14-8-12)15(17)9-11-4-2-1-3-5-11/h1-8,10H,9,17H2
InChIKeyKRLFVPHPSKOIKZ-UHFFFAOYSA-N
MW244.23 g/mol
LogP2.69
Rot. Bonds4

About 6-[benzyl(phosphanyl)amino]pyridine-3-carbaldehyde

6-[benzyl(phosphanyl)amino]pyridine-3-carbaldehyde (PubChem CID 143399607) has the molecular formula C13H13N2OP and a molecular weight of 244.23 g/mol. Its IUPAC name is 6-[benzyl(phosphanyl)amino]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[benzyl(phosphanyl)amino]pyridine-3-carbaldehyde
PubChem CID143399607
Molecular FormulaC13H13N2OP
Molecular Weight244.23 g/mol
Exact Mass244.08
IUPAC Name6-[benzyl(phosphanyl)amino]pyridine-3-carbaldehyde
SMILESO=Cc1ccc(N(P)Cc2ccccc2)nc1
InChIInChI=1S/C13H13N2OP/c16-10-12-6-7-13(14-8-12)15(17)9-11-4-2-1-3-5-11/h1-8,10H,9,17H2
InChIKeyKRLFVPHPSKOIKZ-UHFFFAOYSA-N
XLogP2.69
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[benzyl(phosphanyl)amino]pyridine-3-carbaldehyde?
The IUPAC name of 6-[benzyl(phosphanyl)amino]pyridine-3-carbaldehyde (CID 143399607) is 6-[benzyl(phosphanyl)amino]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-[benzyl(phosphanyl)amino]pyridine-3-carbaldehyde?
The canonical SMILES for 6-[benzyl(phosphanyl)amino]pyridine-3-carbaldehyde is O=Cc1ccc(N(P)Cc2ccccc2)nc1.
What is the InChIKey of 6-[benzyl(phosphanyl)amino]pyridine-3-carbaldehyde?
The InChIKey is KRLFVPHPSKOIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N2OP/c16-10-12-6-7-13(14-8-12)15(17)9-11-4-2-1-3-5-11/h1-8,10H,9,17H2.
What are the key properties of 6-[benzyl(phosphanyl)amino]pyridine-3-carbaldehyde?
6-[benzyl(phosphanyl)amino]pyridine-3-carbaldehyde has a molecular weight of 244.23 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[benzyl(phosphanyl)amino]pyridine-3-carbaldehyde is sourced from PubChem (CID 143399607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).