4-hydroxy-7-methyl-1H-1,5-naphthyridin-2-one;phosphoryl trichloride

C9H8Cl3N2O3P — CID 90731192

IUPAC4-hydroxy-7-methyl-1H-1,5-naphthyridin-2-one;phosphoryl trichloride
SMILESCc1cnc2c(O)cc(=O)[nH]c2c1.O=P(Cl)(Cl)Cl
InChIInChI=1S/C9H8N2O2.Cl3OP/c1-5-2-6-9(10-4-5)7(12)3-8(13)11-6;1-5(2,3)4/h2-4H,1H3,(H2,11,12,13);
InChIKeyXVNJOECTTVKGNS-UHFFFAOYSA-N
MW329.51 g/mol
LogP3.75
Rot. Bonds

About 4-hydroxy-7-methyl-1H-1,5-naphthyridin-2-one;phosphoryl trichloride

4-hydroxy-7-methyl-1H-1,5-naphthyridin-2-one;phosphoryl trichloride (PubChem CID 90731192) has the molecular formula C9H8Cl3N2O3P and a molecular weight of 329.51 g/mol. Its IUPAC name is 4-hydroxy-7-methyl-1H-1,5-naphthyridin-2-one;phosphoryl trichloride.

Molecular Properties

Compound Name4-hydroxy-7-methyl-1H-1,5-naphthyridin-2-one;phosphoryl trichloride
PubChem CID90731192
Molecular FormulaC9H8Cl3N2O3P
Molecular Weight329.51 g/mol
Exact Mass327.93
IUPAC Name4-hydroxy-7-methyl-1H-1,5-naphthyridin-2-one;phosphoryl trichloride
SMILESCc1cnc2c(O)cc(=O)[nH]c2c1.O=P(Cl)(Cl)Cl
InChIInChI=1S/C9H8N2O2.Cl3OP/c1-5-2-6-9(10-4-5)7(12)3-8(13)11-6;1-5(2,3)4/h2-4H,1H3,(H2,11,12,13);
InChIKeyXVNJOECTTVKGNS-UHFFFAOYSA-N
XLogP3.75
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.51
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-7-methyl-1H-1,5-naphthyridin-2-one;phosphoryl trichloride?
The IUPAC name of 4-hydroxy-7-methyl-1H-1,5-naphthyridin-2-one;phosphoryl trichloride (CID 90731192) is 4-hydroxy-7-methyl-1H-1,5-naphthyridin-2-one;phosphoryl trichloride.
What is the SMILES notation for 4-hydroxy-7-methyl-1H-1,5-naphthyridin-2-one;phosphoryl trichloride?
The canonical SMILES for 4-hydroxy-7-methyl-1H-1,5-naphthyridin-2-one;phosphoryl trichloride is Cc1cnc2c(O)cc(=O)[nH]c2c1.O=P(Cl)(Cl)Cl.
What is the InChIKey of 4-hydroxy-7-methyl-1H-1,5-naphthyridin-2-one;phosphoryl trichloride?
The InChIKey is XVNJOECTTVKGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2.Cl3OP/c1-5-2-6-9(10-4-5)7(12)3-8(13)11-6;1-5(2,3)4/h2-4H,1H3,(H2,11,12,13);.
What are the key properties of 4-hydroxy-7-methyl-1H-1,5-naphthyridin-2-one;phosphoryl trichloride?
4-hydroxy-7-methyl-1H-1,5-naphthyridin-2-one;phosphoryl trichloride has a molecular weight of 329.51 g/mol, XLogP of 3.75, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-7-methyl-1H-1,5-naphthyridin-2-one;phosphoryl trichloride is sourced from PubChem (CID 90731192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).