(3R)-10-cyclopropyl-5-fluoro-3-methyl-2,7-dioxo-1H-pyrido[2,3-f][1,4]benzothiazine-8-carboxylic acid

C16H13FN2O4S — CID 102155134

About (3R)-10-cyclopropyl-5-fluoro-3-methyl-2,7-dioxo-1H-pyrido[2,3-f][1,4]benzothiazine-8-carboxylic acid

(3R)-10-cyclopropyl-5-fluoro-3-methyl-2,7-dioxo-1H-pyrido[2,3-f][1,4]benzothiazine-8-carboxylic acid (PubChem CID 102155134) has the molecular formula C16H13FN2O4S and a molecular weight of 348.36 g/mol. Its IUPAC name is (3R)-10-cyclopropyl-5-fluoro-3-methyl-2,7-dioxo-1H-pyrido[2,3-f][1,4]benzothiazine-8-carboxylic acid.

Molecular Properties

• Compound Name: (3R)-10-cyclopropyl-5-fluoro-3-methyl-2,7-dioxo-1H-pyrido[2,3-f][1,4]benzothiazine-8-carboxylic acid
• PubChem CID: 102155134
• Molecular Formula: C16H13FN2O4S
• Molecular Weight: 348.36 g/mol
• Exact Mass: 348.06
• IUPAC Name: (3R)-10-cyclopropyl-5-fluoro-3-methyl-2,7-dioxo-1H-pyrido[2,3-f][1,4]benzothiazine-8-carboxylic acid
• SMILES: C[C@H]1Sc2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2NC1=O
• InChI: InChI=1S/C16H13FN2O4S/c1-6-15(21)18-11-12-8(4-10(17)14(11)24-6)13(20)9(16(22)23)5-19(12)7-2-3-7/h4-7H,2-3H2,1H3,(H,18,21)(H,22,23)/t6-/m1/s1
• InChIKey: GENBGKDHJHDIFT-ZCFIWIBFSA-N
• XLogP: 2.61
• TPSA: 88.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.36
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3R)-10-cyclopropyl-5-fluoro-3-methyl-2,7-dioxo-1H-pyrido[2,3-f][1,4]benzothiazine-8-carboxylic acid?

The IUPAC name of (3R)-10-cyclopropyl-5-fluoro-3-methyl-2,7-dioxo-1H-pyrido[2,3-f][1,4]benzothiazine-8-carboxylic acid (CID 102155134) is (3R)-10-cyclopropyl-5-fluoro-3-methyl-2,7-dioxo-1H-pyrido[2,3-f][1,4]benzothiazine-8-carboxylic acid.

What is the SMILES notation for (3R)-10-cyclopropyl-5-fluoro-3-methyl-2,7-dioxo-1H-pyrido[2,3-f][1,4]benzothiazine-8-carboxylic acid?

The canonical SMILES for (3R)-10-cyclopropyl-5-fluoro-3-methyl-2,7-dioxo-1H-pyrido[2,3-f][1,4]benzothiazine-8-carboxylic acid is C[C@H]1Sc2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2NC1=O.

What is the InChIKey of (3R)-10-cyclopropyl-5-fluoro-3-methyl-2,7-dioxo-1H-pyrido[2,3-f][1,4]benzothiazine-8-carboxylic acid?

The InChIKey is GENBGKDHJHDIFT-ZCFIWIBFSA-N. The full InChI is InChI=1S/C16H13FN2O4S/c1-6-15(21)18-11-12-8(4-10(17)14(11)24-6)13(20)9(16(22)23)5-19(12)7-2-3-7/h4-7H,2-3H2,1H3,(H,18,21)(H,22,23)/t6-/m1/s1.

What are the key properties of (3R)-10-cyclopropyl-5-fluoro-3-methyl-2,7-dioxo-1H-pyrido[2,3-f][1,4]benzothiazine-8-carboxylic acid?

(3R)-10-cyclopropyl-5-fluoro-3-methyl-2,7-dioxo-1H-pyrido[2,3-f][1,4]benzothiazine-8-carboxylic acid has a molecular weight of 348.36 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-10-cyclopropyl-5-fluoro-3-methyl-2,7-dioxo-1H-pyrido[2,3-f][1,4]benzothiazine-8-carboxylic acid is sourced from PubChem (CID 102155134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).