7-chloro-1-cyclopropyl-2-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid

C12H8ClFN2O3 — CID 19828517

IUPAC7-chloro-1-cyclopropyl-2-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1c(F)n(C2CC2)c2nc(Cl)ccc2c1=O
InChIInChI=1S/C12H8ClFN2O3/c13-7-4-3-6-9(17)8(12(18)19)10(14)16(5-1-2-5)11(6)15-7/h3-5H,1-2H2,(H,18,19)
InChIKeyOWGJUHOLQWJORB-UHFFFAOYSA-N
MW282.66 g/mol
LogP2.22
Rot. Bonds2

About 7-chloro-1-cyclopropyl-2-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid

7-chloro-1-cyclopropyl-2-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 19828517) has the molecular formula C12H8ClFN2O3 and a molecular weight of 282.66 g/mol. Its IUPAC name is 7-chloro-1-cyclopropyl-2-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-chloro-1-cyclopropyl-2-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID19828517
Molecular FormulaC12H8ClFN2O3
Molecular Weight282.66 g/mol
Exact Mass282.02
IUPAC Name7-chloro-1-cyclopropyl-2-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1c(F)n(C2CC2)c2nc(Cl)ccc2c1=O
InChIInChI=1S/C12H8ClFN2O3/c13-7-4-3-6-9(17)8(12(18)19)10(14)16(5-1-2-5)11(6)15-7/h3-5H,1-2H2,(H,18,19)
InChIKeyOWGJUHOLQWJORB-UHFFFAOYSA-N
XLogP2.22
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.66
LogP ≤ 52.22
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-1-cyclopropyl-2-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-chloro-1-cyclopropyl-2-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 19828517) is 7-chloro-1-cyclopropyl-2-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-chloro-1-cyclopropyl-2-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-chloro-1-cyclopropyl-2-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid is O=C(O)c1c(F)n(C2CC2)c2nc(Cl)ccc2c1=O.
What is the InChIKey of 7-chloro-1-cyclopropyl-2-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is OWGJUHOLQWJORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O3/c13-7-4-3-6-9(17)8(12(18)19)10(14)16(5-1-2-5)11(6)15-7/h3-5H,1-2H2,(H,18,19).
What are the key properties of 7-chloro-1-cyclopropyl-2-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
7-chloro-1-cyclopropyl-2-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 282.66 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-cyclopropyl-2-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 19828517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).