[4-[(7-methoxy-1,8-naphthyridin-4-yl)oxy]phenyl]methylphosphonic acid

C16H15N2O5P — CID 168990978

IUPAC[4-[(7-methoxy-1,8-naphthyridin-4-yl)oxy]phenyl]methylphosphonic acid
SMILESCOc1ccc2c(Oc3ccc(CP(=O)(O)O)cc3)ccnc2n1
InChIInChI=1S/C16H15N2O5P/c1-22-15-7-6-13-14(8-9-17-16(13)18-15)23-12-4-2-11(3-5-12)10-24(19,20)21/h2-9H,10H2,1H3,(H2,19,20,21)
InChIKeyOMZZUXIAISGIOK-UHFFFAOYSA-N
MW346.28 g/mol
LogP3.11
Rot. Bonds5

About [4-[(7-methoxy-1,8-naphthyridin-4-yl)oxy]phenyl]methylphosphonic acid

[4-[(7-methoxy-1,8-naphthyridin-4-yl)oxy]phenyl]methylphosphonic acid (PubChem CID 168990978) has the molecular formula C16H15N2O5P and a molecular weight of 346.28 g/mol. Its IUPAC name is [4-[(7-methoxy-1,8-naphthyridin-4-yl)oxy]phenyl]methylphosphonic acid.

Molecular Properties

Compound Name[4-[(7-methoxy-1,8-naphthyridin-4-yl)oxy]phenyl]methylphosphonic acid
PubChem CID168990978
Molecular FormulaC16H15N2O5P
Molecular Weight346.28 g/mol
Exact Mass346.07
IUPAC Name[4-[(7-methoxy-1,8-naphthyridin-4-yl)oxy]phenyl]methylphosphonic acid
SMILESCOc1ccc2c(Oc3ccc(CP(=O)(O)O)cc3)ccnc2n1
InChIInChI=1S/C16H15N2O5P/c1-22-15-7-6-13-14(8-9-17-16(13)18-15)23-12-4-2-11(3-5-12)10-24(19,20)21/h2-9H,10H2,1H3,(H2,19,20,21)
InChIKeyOMZZUXIAISGIOK-UHFFFAOYSA-N
XLogP3.11
TPSA101.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.28
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(7-methoxy-1,8-naphthyridin-4-yl)oxy]phenyl]methylphosphonic acid?
The IUPAC name of [4-[(7-methoxy-1,8-naphthyridin-4-yl)oxy]phenyl]methylphosphonic acid (CID 168990978) is [4-[(7-methoxy-1,8-naphthyridin-4-yl)oxy]phenyl]methylphosphonic acid.
What is the SMILES notation for [4-[(7-methoxy-1,8-naphthyridin-4-yl)oxy]phenyl]methylphosphonic acid?
The canonical SMILES for [4-[(7-methoxy-1,8-naphthyridin-4-yl)oxy]phenyl]methylphosphonic acid is COc1ccc2c(Oc3ccc(CP(=O)(O)O)cc3)ccnc2n1.
What is the InChIKey of [4-[(7-methoxy-1,8-naphthyridin-4-yl)oxy]phenyl]methylphosphonic acid?
The InChIKey is OMZZUXIAISGIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N2O5P/c1-22-15-7-6-13-14(8-9-17-16(13)18-15)23-12-4-2-11(3-5-12)10-24(19,20)21/h2-9H,10H2,1H3,(H2,19,20,21).
What are the key properties of [4-[(7-methoxy-1,8-naphthyridin-4-yl)oxy]phenyl]methylphosphonic acid?
[4-[(7-methoxy-1,8-naphthyridin-4-yl)oxy]phenyl]methylphosphonic acid has a molecular weight of 346.28 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(7-methoxy-1,8-naphthyridin-4-yl)oxy]phenyl]methylphosphonic acid is sourced from PubChem (CID 168990978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).