7-chloro-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid

C11H7ClF2N2O3 — CID 15189035

IUPAC7-chloro-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(CCF)c2nc(Cl)c(F)cc2c1=O
InChIInChI=1S/C11H7ClF2N2O3/c12-9-7(14)3-5-8(17)6(11(18)19)4-16(2-1-13)10(5)15-9/h3-4H,1-2H2,(H,18,19)
InChIKeyMOAVJGATGVQJFB-UHFFFAOYSA-N
MW288.64 g/mol
LogP1.86
Rot. Bonds3

About 7-chloro-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid

7-chloro-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 15189035) has the molecular formula C11H7ClF2N2O3 and a molecular weight of 288.64 g/mol. Its IUPAC name is 7-chloro-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-chloro-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID15189035
Molecular FormulaC11H7ClF2N2O3
Molecular Weight288.64 g/mol
Exact Mass288.01
IUPAC Name7-chloro-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(CCF)c2nc(Cl)c(F)cc2c1=O
InChIInChI=1S/C11H7ClF2N2O3/c12-9-7(14)3-5-8(17)6(11(18)19)4-16(2-1-13)10(5)15-9/h3-4H,1-2H2,(H,18,19)
InChIKeyMOAVJGATGVQJFB-UHFFFAOYSA-N
XLogP1.86
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.64
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-chloro-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 15189035) is 7-chloro-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-chloro-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-chloro-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid is O=C(O)c1cn(CCF)c2nc(Cl)c(F)cc2c1=O.
What is the InChIKey of 7-chloro-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is MOAVJGATGVQJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF2N2O3/c12-9-7(14)3-5-8(17)6(11(18)19)4-16(2-1-13)10(5)15-9/h3-4H,1-2H2,(H,18,19).
What are the key properties of 7-chloro-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
7-chloro-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 288.64 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 15189035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).