formaldehyde;bis(1,5-naphthyridine);phosphoric acid

C17H20N4O9P2 — CID 175591589

IUPACformaldehyde;bis(1,5-naphthyridine);phosphoric acid
SMILESC=O.O=P(O)(O)O.O=P(O)(O)O.c1cnc2cccnc2c1.c1cnc2cccnc2c1
InChIInChI=1S/2C8H6N2.CH2O.2H3O4P/c2*1-3-7-8(9-5-1)4-2-6-10-7;1-2;2*1-5(2,3)4/h2*1-6H;1H2;2*(H3,1,2,3,4)
InChIKeyWNKFRISJEUNQLR-UHFFFAOYSA-N
MW486.31 g/mol
LogP1.22
Rot. Bonds

About formaldehyde;bis(1,5-naphthyridine);phosphoric acid

formaldehyde;bis(1,5-naphthyridine);phosphoric acid (PubChem CID 175591589) has the molecular formula C17H20N4O9P2 and a molecular weight of 486.31 g/mol. Its IUPAC name is formaldehyde;bis(1,5-naphthyridine);phosphoric acid.

Molecular Properties

Compound Nameformaldehyde;bis(1,5-naphthyridine);phosphoric acid
PubChem CID175591589
Molecular FormulaC17H20N4O9P2
Molecular Weight486.31 g/mol
Exact Mass486.07
IUPAC Nameformaldehyde;bis(1,5-naphthyridine);phosphoric acid
SMILESC=O.O=P(O)(O)O.O=P(O)(O)O.c1cnc2cccnc2c1.c1cnc2cccnc2c1
InChIInChI=1S/2C8H6N2.CH2O.2H3O4P/c2*1-3-7-8(9-5-1)4-2-6-10-7;1-2;2*1-5(2,3)4/h2*1-6H;1H2;2*(H3,1,2,3,4)
InChIKeyWNKFRISJEUNQLR-UHFFFAOYSA-N
XLogP1.22
TPSA224.15 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.31
LogP ≤ 51.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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CID 175728214
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1,5-naphthyridine;pyridine
CID 158398713
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CID 142434189
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CID 50910245
2-methylpyrimidine;phosphoric acid
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CID 23206844
quinoline;quinoxaline
CID 66672759
iron;quinoxaline
CID 161047921
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CID 76974643

Frequently Asked Questions

What is the IUPAC name of formaldehyde;bis(1,5-naphthyridine);phosphoric acid?
The IUPAC name of formaldehyde;bis(1,5-naphthyridine);phosphoric acid (CID 175591589) is formaldehyde;bis(1,5-naphthyridine);phosphoric acid.
What is the SMILES notation for formaldehyde;bis(1,5-naphthyridine);phosphoric acid?
The canonical SMILES for formaldehyde;bis(1,5-naphthyridine);phosphoric acid is C=O.O=P(O)(O)O.O=P(O)(O)O.c1cnc2cccnc2c1.c1cnc2cccnc2c1.
What is the InChIKey of formaldehyde;bis(1,5-naphthyridine);phosphoric acid?
The InChIKey is WNKFRISJEUNQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H6N2.CH2O.2H3O4P/c2*1-3-7-8(9-5-1)4-2-6-10-7;1-2;2*1-5(2,3)4/h2*1-6H;1H2;2*(H3,1,2,3,4).
What are the key properties of formaldehyde;bis(1,5-naphthyridine);phosphoric acid?
formaldehyde;bis(1,5-naphthyridine);phosphoric acid has a molecular weight of 486.31 g/mol, XLogP of 1.22, 0 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;bis(1,5-naphthyridine);phosphoric acid is sourced from PubChem (CID 175591589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).