6-fluoro-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylic acid

C11H9FN2O3 — CID 66735650

IUPAC6-fluoro-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCc1nc2c(cc1F)cc(C(=O)O)c(=O)n2C
InChIInChI=1S/C11H9FN2O3/c1-5-8(12)4-6-3-7(11(16)17)10(15)14(2)9(6)13-5/h3-4H,1-2H3,(H,16,17)
InChIKeyXWCORXFXBYEPOZ-UHFFFAOYSA-N
MW236.20 g/mol
LogP1.08
Rot. Bonds1

About 6-fluoro-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylic acid

6-fluoro-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 66735650) has the molecular formula C11H9FN2O3 and a molecular weight of 236.20 g/mol. Its IUPAC name is 6-fluoro-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID66735650
Molecular FormulaC11H9FN2O3
Molecular Weight236.20 g/mol
Exact Mass236.06
IUPAC Name6-fluoro-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCc1nc2c(cc1F)cc(C(=O)O)c(=O)n2C
InChIInChI=1S/C11H9FN2O3/c1-5-8(12)4-6-3-7(11(16)17)10(15)14(2)9(6)13-5/h3-4H,1-2H3,(H,16,17)
InChIKeyXWCORXFXBYEPOZ-UHFFFAOYSA-N
XLogP1.08
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 6-fluoro-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylic acid (CID 66735650) is 6-fluoro-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 6-fluoro-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 6-fluoro-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylic acid is Cc1nc2c(cc1F)cc(C(=O)O)c(=O)n2C.
What is the InChIKey of 6-fluoro-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is XWCORXFXBYEPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3/c1-5-8(12)4-6-3-7(11(16)17)10(15)14(2)9(6)13-5/h3-4H,1-2H3,(H,16,17).
What are the key properties of 6-fluoro-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylic acid?
6-fluoro-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 236.20 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 66735650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).