2-[difluoro(2-methoxyethoxy)methyl]-6-fluoro-7-methyl-1,8-naphthyridine-3-carboxylic acid

C14H13F3N2O4 — CID 66602515

IUPAC2-[difluoro(2-methoxyethoxy)methyl]-6-fluoro-7-methyl-1,8-naphthyridine-3-carboxylic acid
SMILESCOCCOC(F)(F)c1nc2nc(C)c(F)cc2cc1C(=O)O
InChIInChI=1S/C14H13F3N2O4/c1-7-10(15)6-8-5-9(13(20)21)11(19-12(8)18-7)14(16,17)23-4-3-22-2/h5-6H,3-4H2,1-2H3,(H,20,21)
InChIKeyCHZQXJYLZKNNIT-UHFFFAOYSA-N
MW330.26 g/mol
LogP2.49
Rot. Bonds6

About 2-[difluoro(2-methoxyethoxy)methyl]-6-fluoro-7-methyl-1,8-naphthyridine-3-carboxylic acid

2-[difluoro(2-methoxyethoxy)methyl]-6-fluoro-7-methyl-1,8-naphthyridine-3-carboxylic acid (PubChem CID 66602515) has the molecular formula C14H13F3N2O4 and a molecular weight of 330.26 g/mol. Its IUPAC name is 2-[difluoro(2-methoxyethoxy)methyl]-6-fluoro-7-methyl-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[difluoro(2-methoxyethoxy)methyl]-6-fluoro-7-methyl-1,8-naphthyridine-3-carboxylic acid
PubChem CID66602515
Molecular FormulaC14H13F3N2O4
Molecular Weight330.26 g/mol
Exact Mass330.08
IUPAC Name2-[difluoro(2-methoxyethoxy)methyl]-6-fluoro-7-methyl-1,8-naphthyridine-3-carboxylic acid
SMILESCOCCOC(F)(F)c1nc2nc(C)c(F)cc2cc1C(=O)O
InChIInChI=1S/C14H13F3N2O4/c1-7-10(15)6-8-5-9(13(20)21)11(19-12(8)18-7)14(16,17)23-4-3-22-2/h5-6H,3-4H2,1-2H3,(H,20,21)
InChIKeyCHZQXJYLZKNNIT-UHFFFAOYSA-N
XLogP2.49
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[ethoxy(difluoro)methyl]-6-fluoro-7-methyl-1,8-naphthyridine-3-carboxylic acid
CID 66602029
2-[2-[ethoxy(difluoro)methyl]-6-fluoro-7-methyl-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione
CID 66602414
6-fluoro-2-methoxy-7-methyl-1,8-naphthyridine-3-carboxylic acid
CID 174634718
6-fluoro-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylic acid
CID 66601585
6-fluoro-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylic acid
CID 66735650
ethyl 6-fluoro-7-(2-methylpropyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
CID 66602348
ethyl 7-[ethyl(methyl)amino]-6-fluoro-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
CID 66602193
3-methyl-1-(2,2,2-trifluoroethoxymethyl)pyrazole-4-carboxylic acid
CID 106705200
1-(methoxymethyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 175233372
ethyl 7-(methoxymethyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
CID 66601804
1-tert-butyl-6-fluoro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 59439208
6-[3-(2-methoxyethoxy)propoxy]-2-methylpyridine-3-carboxylic acid
CID 103401537

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro(2-methoxyethoxy)methyl]-6-fluoro-7-methyl-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 2-[difluoro(2-methoxyethoxy)methyl]-6-fluoro-7-methyl-1,8-naphthyridine-3-carboxylic acid (CID 66602515) is 2-[difluoro(2-methoxyethoxy)methyl]-6-fluoro-7-methyl-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 2-[difluoro(2-methoxyethoxy)methyl]-6-fluoro-7-methyl-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 2-[difluoro(2-methoxyethoxy)methyl]-6-fluoro-7-methyl-1,8-naphthyridine-3-carboxylic acid is COCCOC(F)(F)c1nc2nc(C)c(F)cc2cc1C(=O)O.
What is the InChIKey of 2-[difluoro(2-methoxyethoxy)methyl]-6-fluoro-7-methyl-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is CHZQXJYLZKNNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O4/c1-7-10(15)6-8-5-9(13(20)21)11(19-12(8)18-7)14(16,17)23-4-3-22-2/h5-6H,3-4H2,1-2H3,(H,20,21).
What are the key properties of 2-[difluoro(2-methoxyethoxy)methyl]-6-fluoro-7-methyl-1,8-naphthyridine-3-carboxylic acid?
2-[difluoro(2-methoxyethoxy)methyl]-6-fluoro-7-methyl-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 330.26 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro(2-methoxyethoxy)methyl]-6-fluoro-7-methyl-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 66602515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).