[2,6-difluoro-4-[(7-methoxy-1,8-naphthyridin-4-yl)oxy]phenyl]methylphosphonic acid

C16H13F2N2O5P — CID 176510975

IUPAC[2,6-difluoro-4-[(7-methoxy-1,8-naphthyridin-4-yl)oxy]phenyl]methylphosphonic acid
SMILESCOc1ccc2c(Oc3cc(F)c(CP(=O)(O)O)c(F)c3)ccnc2n1
InChIInChI=1S/C16H13F2N2O5P/c1-24-15-3-2-10-14(4-5-19-16(10)20-15)25-9-6-12(17)11(13(18)7-9)8-26(21,22)23/h2-7H,8H2,1H3,(H2,21,22,23)
InChIKeyIURSSLZZCLFRAO-UHFFFAOYSA-N
MW382.26 g/mol
LogP3.39
Rot. Bonds5

About [2,6-difluoro-4-[(7-methoxy-1,8-naphthyridin-4-yl)oxy]phenyl]methylphosphonic acid

[2,6-difluoro-4-[(7-methoxy-1,8-naphthyridin-4-yl)oxy]phenyl]methylphosphonic acid (PubChem CID 176510975) has the molecular formula C16H13F2N2O5P and a molecular weight of 382.26 g/mol. Its IUPAC name is [2,6-difluoro-4-[(7-methoxy-1,8-naphthyridin-4-yl)oxy]phenyl]methylphosphonic acid.

Molecular Properties

Compound Name[2,6-difluoro-4-[(7-methoxy-1,8-naphthyridin-4-yl)oxy]phenyl]methylphosphonic acid
PubChem CID176510975
Molecular FormulaC16H13F2N2O5P
Molecular Weight382.26 g/mol
Exact Mass382.05
IUPAC Name[2,6-difluoro-4-[(7-methoxy-1,8-naphthyridin-4-yl)oxy]phenyl]methylphosphonic acid
SMILESCOc1ccc2c(Oc3cc(F)c(CP(=O)(O)O)c(F)c3)ccnc2n1
InChIInChI=1S/C16H13F2N2O5P/c1-24-15-3-2-10-14(4-5-19-16(10)20-15)25-9-6-12(17)11(13(18)7-9)8-26(21,22)23/h2-7H,8H2,1H3,(H2,21,22,23)
InChIKeyIURSSLZZCLFRAO-UHFFFAOYSA-N
XLogP3.39
TPSA101.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-fluoro-4-[(7-methoxy-1,8-naphthyridin-4-yl)oxy]phenyl]-N-hydroxyacetamide
CID 172515971
[2,2-dimethylpropanoyloxymethoxy-[[4-[(7-methoxy-1,8-naphthyridin-4-yl)oxy]phenyl]methyl]phosphoryl]oxymethyl 2,2-dimethylpropanoate
CID 172652581
N,2-dihydroxy-2-[4-[(7-methoxy-1,8-naphthyridin-4-yl)oxy]phenyl]acetamide
CID 172991567
[2,6-difluoro-4-[(7-methoxy-1,6-naphthyridin-4-yl)amino]phenyl]methylphosphonic acid
CID 177089317
4-N-[(4-bromo-2,6-difluorophenyl)methyl]-7-methoxy-1,8-naphthyridine-3,4-diamine
CID 168873863
[3,5-difluoro-4-[(7-methoxy-1,6-naphthyridin-4-yl)amino]phenyl]methylphosphonic acid
CID 177089359
1-[(4-amino-2,6-difluorophenyl)methyl]-7-methoxy-3H-imidazo[4,5-c][1,8]naphthyridin-2-one
CID 164575403
2-chloro-5-methoxy-1,8-naphthyridine
CID 84665756
(4-ethyl-7-methoxy-1,8-naphthyridin-3-yl)methanol
CID 156713536
2-methoxy-5-[4-[(sulfinoamino)methyl]phenyl]-1,8-naphthyridine
CID 154630885
ethyl 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-2-oxoacetate
CID 155671429
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2,3-difluorobenzamide
CID 59813365

Frequently Asked Questions

What is the IUPAC name of [2,6-difluoro-4-[(7-methoxy-1,8-naphthyridin-4-yl)oxy]phenyl]methylphosphonic acid?
The IUPAC name of [2,6-difluoro-4-[(7-methoxy-1,8-naphthyridin-4-yl)oxy]phenyl]methylphosphonic acid (CID 176510975) is [2,6-difluoro-4-[(7-methoxy-1,8-naphthyridin-4-yl)oxy]phenyl]methylphosphonic acid.
What is the SMILES notation for [2,6-difluoro-4-[(7-methoxy-1,8-naphthyridin-4-yl)oxy]phenyl]methylphosphonic acid?
The canonical SMILES for [2,6-difluoro-4-[(7-methoxy-1,8-naphthyridin-4-yl)oxy]phenyl]methylphosphonic acid is COc1ccc2c(Oc3cc(F)c(CP(=O)(O)O)c(F)c3)ccnc2n1.
What is the InChIKey of [2,6-difluoro-4-[(7-methoxy-1,8-naphthyridin-4-yl)oxy]phenyl]methylphosphonic acid?
The InChIKey is IURSSLZZCLFRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N2O5P/c1-24-15-3-2-10-14(4-5-19-16(10)20-15)25-9-6-12(17)11(13(18)7-9)8-26(21,22)23/h2-7H,8H2,1H3,(H2,21,22,23).
What are the key properties of [2,6-difluoro-4-[(7-methoxy-1,8-naphthyridin-4-yl)oxy]phenyl]methylphosphonic acid?
[2,6-difluoro-4-[(7-methoxy-1,8-naphthyridin-4-yl)oxy]phenyl]methylphosphonic acid has a molecular weight of 382.26 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-difluoro-4-[(7-methoxy-1,8-naphthyridin-4-yl)oxy]phenyl]methylphosphonic acid is sourced from PubChem (CID 176510975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).