7-chloro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid

C11H5ClN4O3S — CID 142435114

IUPAC7-chloro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(-c2ncns2)c2nc(Cl)ccc2c1=O
InChIInChI=1S/C11H5ClN4O3S/c12-7-2-1-5-8(17)6(10(18)19)3-16(9(5)15-7)11-13-4-14-20-11/h1-4H,(H,18,19)
InChIKeyJNACEJGBOAPKJO-UHFFFAOYSA-N
MW308.71 g/mol
LogP1.59
Rot. Bonds2

About 7-chloro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid

7-chloro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 142435114) has the molecular formula C11H5ClN4O3S and a molecular weight of 308.71 g/mol. Its IUPAC name is 7-chloro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-chloro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID142435114
Molecular FormulaC11H5ClN4O3S
Molecular Weight308.71 g/mol
Exact Mass307.98
IUPAC Name7-chloro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(-c2ncns2)c2nc(Cl)ccc2c1=O
InChIInChI=1S/C11H5ClN4O3S/c12-7-2-1-5-8(17)6(10(18)19)3-16(9(5)15-7)11-13-4-14-20-11/h1-4H,(H,18,19)
InChIKeyJNACEJGBOAPKJO-UHFFFAOYSA-N
XLogP1.59
TPSA97.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.71
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-chloro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (CID 142435114) is 7-chloro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-chloro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-chloro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is O=C(O)c1cn(-c2ncns2)c2nc(Cl)ccc2c1=O.
What is the InChIKey of 7-chloro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is JNACEJGBOAPKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClN4O3S/c12-7-2-1-5-8(17)6(10(18)19)3-16(9(5)15-7)11-13-4-14-20-11/h1-4H,(H,18,19).
What are the key properties of 7-chloro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
7-chloro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 308.71 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 142435114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).