4-(5-fluoro-6-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzothiazine-6-carboxylic acid

C15H13FN2O2S — CID 167463760

IUPAC4-(5-fluoro-6-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzothiazine-6-carboxylic acid
SMILESCc1nc(N2CCSc3ccc(C(=O)O)cc32)ccc1F
InChIInChI=1S/C15H13FN2O2S/c1-9-11(16)3-5-14(17-9)18-6-7-21-13-4-2-10(15(19)20)8-12(13)18/h2-5,8H,6-7H2,1H3,(H,19,20)
InChIKeyJWVVGGFKATYISB-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.47
Rot. Bonds2

About 4-(5-fluoro-6-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzothiazine-6-carboxylic acid

4-(5-fluoro-6-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzothiazine-6-carboxylic acid (PubChem CID 167463760) has the molecular formula C15H13FN2O2S and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-(5-fluoro-6-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzothiazine-6-carboxylic acid.

Molecular Properties

Compound Name4-(5-fluoro-6-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzothiazine-6-carboxylic acid
PubChem CID167463760
Molecular FormulaC15H13FN2O2S
Molecular Weight304.35 g/mol
Exact Mass304.07
IUPAC Name4-(5-fluoro-6-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzothiazine-6-carboxylic acid
SMILESCc1nc(N2CCSc3ccc(C(=O)O)cc32)ccc1F
InChIInChI=1S/C15H13FN2O2S/c1-9-11(16)3-5-14(17-9)18-6-7-21-13-4-2-10(15(19)20)8-12(13)18/h2-5,8H,6-7H2,1H3,(H,19,20)
InChIKeyJWVVGGFKATYISB-UHFFFAOYSA-N
XLogP3.47
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-6-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzothiazine-6-carboxylic acid?
The IUPAC name of 4-(5-fluoro-6-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzothiazine-6-carboxylic acid (CID 167463760) is 4-(5-fluoro-6-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzothiazine-6-carboxylic acid.
What is the SMILES notation for 4-(5-fluoro-6-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzothiazine-6-carboxylic acid?
The canonical SMILES for 4-(5-fluoro-6-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzothiazine-6-carboxylic acid is Cc1nc(N2CCSc3ccc(C(=O)O)cc32)ccc1F.
What is the InChIKey of 4-(5-fluoro-6-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzothiazine-6-carboxylic acid?
The InChIKey is JWVVGGFKATYISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2S/c1-9-11(16)3-5-14(17-9)18-6-7-21-13-4-2-10(15(19)20)8-12(13)18/h2-5,8H,6-7H2,1H3,(H,19,20).
What are the key properties of 4-(5-fluoro-6-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzothiazine-6-carboxylic acid?
4-(5-fluoro-6-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzothiazine-6-carboxylic acid has a molecular weight of 304.35 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-6-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzothiazine-6-carboxylic acid is sourced from PubChem (CID 167463760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).