6-(4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carbaldehyde

C14H8N2O2S — CID 22939305

IUPAC6-(4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carbaldehyde
SMILESO=Cc1cccc(-c2nc(=O)c3ccccc3s2)n1
InChIInChI=1S/C14H8N2O2S/c17-8-9-4-3-6-11(15-9)14-16-13(18)10-5-1-2-7-12(10)19-14/h1-8H
InChIKeyIWFFTCMNVYAHRG-UHFFFAOYSA-N
MW268.30 g/mol
LogP2.53
Rot. Bonds2

About 6-(4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carbaldehyde

6-(4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carbaldehyde (PubChem CID 22939305) has the molecular formula C14H8N2O2S and a molecular weight of 268.30 g/mol. Its IUPAC name is 6-(4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-(4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carbaldehyde
PubChem CID22939305
Molecular FormulaC14H8N2O2S
Molecular Weight268.30 g/mol
Exact Mass268.03
IUPAC Name6-(4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carbaldehyde
SMILESO=Cc1cccc(-c2nc(=O)c3ccccc3s2)n1
InChIInChI=1S/C14H8N2O2S/c17-8-9-4-3-6-11(15-9)14-16-13(18)10-5-1-2-7-12(10)19-14/h1-8H
InChIKeyIWFFTCMNVYAHRG-UHFFFAOYSA-N
XLogP2.53
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carbaldehyde?
The IUPAC name of 6-(4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carbaldehyde (CID 22939305) is 6-(4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carbaldehyde.
What is the SMILES notation for 6-(4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carbaldehyde?
The canonical SMILES for 6-(4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carbaldehyde is O=Cc1cccc(-c2nc(=O)c3ccccc3s2)n1.
What is the InChIKey of 6-(4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carbaldehyde?
The InChIKey is IWFFTCMNVYAHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O2S/c17-8-9-4-3-6-11(15-9)14-16-13(18)10-5-1-2-7-12(10)19-14/h1-8H.
What are the key properties of 6-(4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carbaldehyde?
6-(4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carbaldehyde has a molecular weight of 268.30 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carbaldehyde is sourced from PubChem (CID 22939305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).