2-cyclopropyl-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid

C12H9FN2O3 — CID 68969136

IUPAC2-cyclopropyl-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1c(C2CC2)[nH]c2ncc(F)cc2c1=O
InChIInChI=1S/C12H9FN2O3/c13-6-3-7-10(16)8(12(17)18)9(5-1-2-5)15-11(7)14-4-6/h3-5H,1-2H2,(H,17,18)(H,14,15,16)
InChIKeyCJWXNQQVWVKWTO-UHFFFAOYSA-N
MW248.21 g/mol
LogP1.64
Rot. Bonds2

About 2-cyclopropyl-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid

2-cyclopropyl-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid (PubChem CID 68969136) has the molecular formula C12H9FN2O3 and a molecular weight of 248.21 g/mol. Its IUPAC name is 2-cyclopropyl-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
PubChem CID68969136
Molecular FormulaC12H9FN2O3
Molecular Weight248.21 g/mol
Exact Mass248.06
IUPAC Name2-cyclopropyl-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1c(C2CC2)[nH]c2ncc(F)cc2c1=O
InChIInChI=1S/C12H9FN2O3/c13-6-3-7-10(16)8(12(17)18)9(5-1-2-5)15-11(7)14-4-6/h3-5H,1-2H2,(H,17,18)(H,14,15,16)
InChIKeyCJWXNQQVWVKWTO-UHFFFAOYSA-N
XLogP1.64
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 2-cyclopropyl-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid (CID 68969136) is 2-cyclopropyl-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid is O=C(O)c1c(C2CC2)[nH]c2ncc(F)cc2c1=O.
What is the InChIKey of 2-cyclopropyl-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is CJWXNQQVWVKWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O3/c13-6-3-7-10(16)8(12(17)18)9(5-1-2-5)15-11(7)14-4-6/h3-5H,1-2H2,(H,17,18)(H,14,15,16).
What are the key properties of 2-cyclopropyl-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid?
2-cyclopropyl-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 248.21 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 68969136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).