7-chloro-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-2-carboxylic acid

C11H8ClFN2O3 — CID 54162924

IUPAC7-chloro-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-2-carboxylic acid
SMILESCCn1c(C(=O)O)cc(=O)c2cc(F)c(Cl)nc21
InChIInChI=1S/C11H8ClFN2O3/c1-2-15-7(11(17)18)4-8(16)5-3-6(13)9(12)14-10(5)15/h3-4H,2H2,1H3,(H,17,18)
InChIKeyOPRHCUNZPLSIHZ-UHFFFAOYSA-N
MW270.65 g/mol
LogP1.91
Rot. Bonds2

About 7-chloro-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-2-carboxylic acid

7-chloro-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-2-carboxylic acid (PubChem CID 54162924) has the molecular formula C11H8ClFN2O3 and a molecular weight of 270.65 g/mol. Its IUPAC name is 7-chloro-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-2-carboxylic acid.

Molecular Properties

Compound Name7-chloro-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-2-carboxylic acid
PubChem CID54162924
Molecular FormulaC11H8ClFN2O3
Molecular Weight270.65 g/mol
Exact Mass270.02
IUPAC Name7-chloro-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-2-carboxylic acid
SMILESCCn1c(C(=O)O)cc(=O)c2cc(F)c(Cl)nc21
InChIInChI=1S/C11H8ClFN2O3/c1-2-15-7(11(17)18)4-8(16)5-3-6(13)9(12)14-10(5)15/h3-4H,2H2,1H3,(H,17,18)
InChIKeyOPRHCUNZPLSIHZ-UHFFFAOYSA-N
XLogP1.91
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.65
LogP ≤ 51.91
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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Related Compounds

7-Chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
CID 11055142
1-(Tert-butyl)-7-chloro-6-fluoro-1,4-dihydro-4-oxo-1,8-napthyridine-3-carboxylic acid
CID 15189037
7-Chloro-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
CID 12790859
7-Chloro-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 15189035
7-Chloro-1-(2,4-difluorophenyl)-6-fluoro-3-methyl-1,8-naphthyridin-4-one
CID 18710237
7-Chloro-6-fluoro-1-(1-fluoro-2-methylpropan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 19365044
7-Chloro-6-fluoro-1-(2-methylbut-3-yn-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 19605876
7-Chloro-1-ethyl-6-fluoro-1,8-naphthyridin-4-one
CID 20246043
7-Chloro-6-fluoro-1-prop-2-enyl-2-(prop-2-enylamino)-1,8-naphthyridin-4-one
CID 20790398
7-Chloro-6-fluoro-1-propan-2-yl-2-(propan-2-ylamino)-1,8-naphthyridin-4-one
CID 20791120
1-Ethyl-6-fluoro-4-oxo-7-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-1,8-naphthyridine-2-carboxylic acid
CID 21289007
1-Cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-2-carboxylic acid
CID 21293044

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-2-carboxylic acid?
The IUPAC name of 7-chloro-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-2-carboxylic acid (CID 54162924) is 7-chloro-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-2-carboxylic acid.
What is the SMILES notation for 7-chloro-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-2-carboxylic acid?
The canonical SMILES for 7-chloro-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-2-carboxylic acid is CCn1c(C(=O)O)cc(=O)c2cc(F)c(Cl)nc21.
What is the InChIKey of 7-chloro-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-2-carboxylic acid?
The InChIKey is OPRHCUNZPLSIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O3/c1-2-15-7(11(17)18)4-8(16)5-3-6(13)9(12)14-10(5)15/h3-4H,2H2,1H3,(H,17,18).
What are the key properties of 7-chloro-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-2-carboxylic acid?
7-chloro-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-2-carboxylic acid has a molecular weight of 270.65 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-2-carboxylic acid is sourced from PubChem (CID 54162924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).