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

C13H11F3N2O3 — CID 66602029

IUPAC2-[ethoxy(difluoro)methyl]-6-fluoro-7-methyl-1,8-naphthyridine-3-carboxylic acid
SMILESCCOC(F)(F)c1nc2nc(C)c(F)cc2cc1C(=O)O
InChIInChI=1S/C13H11F3N2O3/c1-3-21-13(15,16)10-8(12(19)20)4-7-5-9(14)6(2)17-11(7)18-10/h4-5H,3H2,1-2H3,(H,19,20)
InChIKeyGNRVGQPURSVRLF-UHFFFAOYSA-N
MW300.24 g/mol
LogP2.86
Rot. Bonds4

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

2-[ethoxy(difluoro)methyl]-6-fluoro-7-methyl-1,8-naphthyridine-3-carboxylic acid (PubChem CID 66602029) has the molecular formula C13H11F3N2O3 and a molecular weight of 300.24 g/mol. Its IUPAC name is 2-[ethoxy(difluoro)methyl]-6-fluoro-7-methyl-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[ethoxy(difluoro)methyl]-6-fluoro-7-methyl-1,8-naphthyridine-3-carboxylic acid
PubChem CID66602029
Molecular FormulaC13H11F3N2O3
Molecular Weight300.24 g/mol
Exact Mass300.07
IUPAC Name2-[ethoxy(difluoro)methyl]-6-fluoro-7-methyl-1,8-naphthyridine-3-carboxylic acid
SMILESCCOC(F)(F)c1nc2nc(C)c(F)cc2cc1C(=O)O
InChIInChI=1S/C13H11F3N2O3/c1-3-21-13(15,16)10-8(12(19)20)4-7-5-9(14)6(2)17-11(7)18-10/h4-5H,3H2,1-2H3,(H,19,20)
InChIKeyGNRVGQPURSVRLF-UHFFFAOYSA-N
XLogP2.86
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[ethoxy(difluoro)methyl]-6-fluoro-7-methyl-1,8-naphthyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[difluoro(2-methoxyethoxy)methyl]-6-fluoro-7-methyl-1,8-naphthyridine-3-carboxylic acid
CID 66602515
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
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
6-fluoro-7-morpholin-4-yl-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylic acid
CID 66602035
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
6-ethoxy-7-methyl-1,8-naphthyridine-3-carboxylic acid
CID 54151724
ethyl 7-methylsulfanyl-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
CID 66601976
2-(2-ethoxybutan-2-yl)-4-methylpyrimidine-5-carboxylic acid
CID 116775070
4-ethoxycarbonyl-2,5-difluorobenzoic acid
CID 22961761

Frequently Asked Questions

What is the IUPAC name of 2-[ethoxy(difluoro)methyl]-6-fluoro-7-methyl-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 2-[ethoxy(difluoro)methyl]-6-fluoro-7-methyl-1,8-naphthyridine-3-carboxylic acid (CID 66602029) is 2-[ethoxy(difluoro)methyl]-6-fluoro-7-methyl-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 2-[ethoxy(difluoro)methyl]-6-fluoro-7-methyl-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 2-[ethoxy(difluoro)methyl]-6-fluoro-7-methyl-1,8-naphthyridine-3-carboxylic acid is CCOC(F)(F)c1nc2nc(C)c(F)cc2cc1C(=O)O.
What is the InChIKey of 2-[ethoxy(difluoro)methyl]-6-fluoro-7-methyl-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is GNRVGQPURSVRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O3/c1-3-21-13(15,16)10-8(12(19)20)4-7-5-9(14)6(2)17-11(7)18-10/h4-5H,3H2,1-2H3,(H,19,20).
What are the key properties of 2-[ethoxy(difluoro)methyl]-6-fluoro-7-methyl-1,8-naphthyridine-3-carboxylic acid?
2-[ethoxy(difluoro)methyl]-6-fluoro-7-methyl-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 300.24 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethoxy(difluoro)methyl]-6-fluoro-7-methyl-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 66602029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).