(5-bromo-2-chloro-3-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone

C14H10BrClN2OS — CID 62001205

IUPAC(5-bromo-2-chloro-3-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
SMILESO=C(c1cc(Br)cnc1Cl)N1CCSc2ccccc21
InChIInChI=1S/C14H10BrClN2OS/c15-9-7-10(13(16)17-8-9)14(19)18-5-6-20-12-4-2-1-3-11(12)18/h1-4,7-8H,5-6H2
InChIKeyOTVZPDHYLFALCV-UHFFFAOYSA-N
MW369.67 g/mol
LogP4.25
Rot. Bonds1

About (5-bromo-2-chloro-3-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone

(5-bromo-2-chloro-3-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone (PubChem CID 62001205) has the molecular formula C14H10BrClN2OS and a molecular weight of 369.67 g/mol. Its IUPAC name is (5-bromo-2-chloro-3-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-chloro-3-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
PubChem CID62001205
Molecular FormulaC14H10BrClN2OS
Molecular Weight369.67 g/mol
Exact Mass367.94
IUPAC Name(5-bromo-2-chloro-3-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
SMILESO=C(c1cc(Br)cnc1Cl)N1CCSc2ccccc21
InChIInChI=1S/C14H10BrClN2OS/c15-9-7-10(13(16)17-8-9)14(19)18-5-6-20-12-4-2-1-3-11(12)18/h1-4,7-8H,5-6H2
InChIKeyOTVZPDHYLFALCV-UHFFFAOYSA-N
XLogP4.25
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.67
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (5-bromo-2-chloro-3-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
The IUPAC name of (5-bromo-2-chloro-3-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone (CID 62001205) is (5-bromo-2-chloro-3-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone.
What is the SMILES notation for (5-bromo-2-chloro-3-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
The canonical SMILES for (5-bromo-2-chloro-3-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone is O=C(c1cc(Br)cnc1Cl)N1CCSc2ccccc21.
What is the InChIKey of (5-bromo-2-chloro-3-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
The InChIKey is OTVZPDHYLFALCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2OS/c15-9-7-10(13(16)17-8-9)14(19)18-5-6-20-12-4-2-1-3-11(12)18/h1-4,7-8H,5-6H2.
What are the key properties of (5-bromo-2-chloro-3-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
(5-bromo-2-chloro-3-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone has a molecular weight of 369.67 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chloro-3-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone is sourced from PubChem (CID 62001205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).