[(3-amino-1,5-naphthyridin-4-yl)-formylphosphanyl]formaldehyde

C10H8N3O2P — CID 155233836

IUPAC[(3-amino-1,5-naphthyridin-4-yl)-formylphosphanyl]formaldehyde
SMILESNc1cnc2cccnc2c1P(C=O)C=O
InChIInChI=1S/C10H8N3O2P/c11-7-4-13-8-2-1-3-12-9(8)10(7)16(5-14)6-15/h1-6H,11H2
InChIKeyHSXWGFKSYLXLFT-UHFFFAOYSA-N
MW233.17 g/mol
LogP0.70
Rot. Bonds3

About [(3-amino-1,5-naphthyridin-4-yl)-formylphosphanyl]formaldehyde

[(3-amino-1,5-naphthyridin-4-yl)-formylphosphanyl]formaldehyde (PubChem CID 155233836) has the molecular formula C10H8N3O2P and a molecular weight of 233.17 g/mol. Its IUPAC name is [(3-amino-1,5-naphthyridin-4-yl)-formylphosphanyl]formaldehyde.

Molecular Properties

Compound Name[(3-amino-1,5-naphthyridin-4-yl)-formylphosphanyl]formaldehyde
PubChem CID155233836
Molecular FormulaC10H8N3O2P
Molecular Weight233.17 g/mol
Exact Mass233.04
IUPAC Name[(3-amino-1,5-naphthyridin-4-yl)-formylphosphanyl]formaldehyde
SMILESNc1cnc2cccnc2c1P(C=O)C=O
InChIInChI=1S/C10H8N3O2P/c11-7-4-13-8-2-1-3-12-9(8)10(7)16(5-14)6-15/h1-6H,11H2
InChIKeyHSXWGFKSYLXLFT-UHFFFAOYSA-N
XLogP0.70
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.17
LogP ≤ 50.70
H-Bond Donors ≤ 51
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 [(3-amino-1,5-naphthyridin-4-yl)-formylphosphanyl]formaldehyde?
The IUPAC name of [(3-amino-1,5-naphthyridin-4-yl)-formylphosphanyl]formaldehyde (CID 155233836) is [(3-amino-1,5-naphthyridin-4-yl)-formylphosphanyl]formaldehyde.
What is the SMILES notation for [(3-amino-1,5-naphthyridin-4-yl)-formylphosphanyl]formaldehyde?
The canonical SMILES for [(3-amino-1,5-naphthyridin-4-yl)-formylphosphanyl]formaldehyde is Nc1cnc2cccnc2c1P(C=O)C=O.
What is the InChIKey of [(3-amino-1,5-naphthyridin-4-yl)-formylphosphanyl]formaldehyde?
The InChIKey is HSXWGFKSYLXLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N3O2P/c11-7-4-13-8-2-1-3-12-9(8)10(7)16(5-14)6-15/h1-6H,11H2.
What are the key properties of [(3-amino-1,5-naphthyridin-4-yl)-formylphosphanyl]formaldehyde?
[(3-amino-1,5-naphthyridin-4-yl)-formylphosphanyl]formaldehyde has a molecular weight of 233.17 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-amino-1,5-naphthyridin-4-yl)-formylphosphanyl]formaldehyde is sourced from PubChem (CID 155233836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).