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

C16H14F2N3O4P — CID 177089317

IUPAC[2,6-difluoro-4-[(7-methoxy-1,6-naphthyridin-4-yl)amino]phenyl]methylphosphonic acid
SMILESCOc1cc2nccc(Nc3cc(F)c(CP(=O)(O)O)c(F)c3)c2cn1
InChIInChI=1S/C16H14F2N3O4P/c1-25-16-6-15-10(7-20-16)14(2-3-19-15)21-9-4-12(17)11(13(18)5-9)8-26(22,23)24/h2-7H,8H2,1H3,(H,19,21)(H2,22,23,24)
InChIKeyRXKYNNNOADUBBM-UHFFFAOYSA-N
MW381.28 g/mol
LogP3.34
Rot. Bonds5

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

[2,6-difluoro-4-[(7-methoxy-1,6-naphthyridin-4-yl)amino]phenyl]methylphosphonic acid (PubChem CID 177089317) has the molecular formula C16H14F2N3O4P and a molecular weight of 381.28 g/mol. Its IUPAC name is [2,6-difluoro-4-[(7-methoxy-1,6-naphthyridin-4-yl)amino]phenyl]methylphosphonic acid.

Molecular Properties

Compound Name[2,6-difluoro-4-[(7-methoxy-1,6-naphthyridin-4-yl)amino]phenyl]methylphosphonic acid
PubChem CID177089317
Molecular FormulaC16H14F2N3O4P
Molecular Weight381.28 g/mol
Exact Mass381.07
IUPAC Name[2,6-difluoro-4-[(7-methoxy-1,6-naphthyridin-4-yl)amino]phenyl]methylphosphonic acid
SMILESCOc1cc2nccc(Nc3cc(F)c(CP(=O)(O)O)c(F)c3)c2cn1
InChIInChI=1S/C16H14F2N3O4P/c1-25-16-6-15-10(7-20-16)14(2-3-19-15)21-9-4-12(17)11(13(18)5-9)8-26(22,23)24/h2-7H,8H2,1H3,(H,19,21)(H2,22,23,24)
InChIKeyRXKYNNNOADUBBM-UHFFFAOYSA-N
XLogP3.34
TPSA104.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.28
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3,5-difluoro-4-[(7-methoxy-1,6-naphthyridin-4-yl)amino]phenyl]methylphosphonic acid
CID 177089359
[[2,6-difluoro-4-[(7-methoxy-1,6-naphthyridin-4-yl)amino]phenyl]methyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate
CID 177089372
[[3-fluoro-4-[(7-methoxy-1,6-naphthyridin-4-yl)amino]phenyl]methyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate
CID 177089358
4-bromo-7-methoxy-1,6-naphthyridine
CID 133060067
N-(3-chloro-4-fluorophenyl)-6,7-dimethoxyquinolin-4-amine
CID 24999709
N'-[6-[(6,7-dimethoxyquinolin-4-yl)amino]-3-pyridinyl]-N-(4-fluorophenyl)propanediamide
CID 118612193
2-fluoro-4-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]phenol
CID 156804987
acetyl fluoride;7-chloro-N-(4-fluorophenyl)quinolin-4-amine
CID 144507995
7-chloro-N-(4-methoxyphenyl)quinolin-4-amine;ethane
CID 153341767
6,7-diethoxy-N-(4-fluorophenyl)quinolin-4-amine
CID 50877941
6,7-difluoro-N-propylquinolin-4-amine
CID 62190279
4-N-(3-chloro-4-fluorophenyl)-7-methoxyquinoline-4,6-diamine
CID 141004590

Frequently Asked Questions

What is the IUPAC name of [2,6-difluoro-4-[(7-methoxy-1,6-naphthyridin-4-yl)amino]phenyl]methylphosphonic acid?
The IUPAC name of [2,6-difluoro-4-[(7-methoxy-1,6-naphthyridin-4-yl)amino]phenyl]methylphosphonic acid (CID 177089317) is [2,6-difluoro-4-[(7-methoxy-1,6-naphthyridin-4-yl)amino]phenyl]methylphosphonic acid.
What is the SMILES notation for [2,6-difluoro-4-[(7-methoxy-1,6-naphthyridin-4-yl)amino]phenyl]methylphosphonic acid?
The canonical SMILES for [2,6-difluoro-4-[(7-methoxy-1,6-naphthyridin-4-yl)amino]phenyl]methylphosphonic acid is COc1cc2nccc(Nc3cc(F)c(CP(=O)(O)O)c(F)c3)c2cn1.
What is the InChIKey of [2,6-difluoro-4-[(7-methoxy-1,6-naphthyridin-4-yl)amino]phenyl]methylphosphonic acid?
The InChIKey is RXKYNNNOADUBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N3O4P/c1-25-16-6-15-10(7-20-16)14(2-3-19-15)21-9-4-12(17)11(13(18)5-9)8-26(22,23)24/h2-7H,8H2,1H3,(H,19,21)(H2,22,23,24).
What are the key properties of [2,6-difluoro-4-[(7-methoxy-1,6-naphthyridin-4-yl)amino]phenyl]methylphosphonic acid?
[2,6-difluoro-4-[(7-methoxy-1,6-naphthyridin-4-yl)amino]phenyl]methylphosphonic acid has a molecular weight of 381.28 g/mol, XLogP of 3.34, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-difluoro-4-[(7-methoxy-1,6-naphthyridin-4-yl)amino]phenyl]methylphosphonic acid is sourced from PubChem (CID 177089317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).