(2-bromo-5-chloro-4-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone

C10H10BrClN2O2S — CID 100628534

IUPAC(2-bromo-5-chloro-4-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
SMILESO=C(c1cc(Br)ncc1Cl)N1CCS(=O)CC1
InChIInChI=1S/C10H10BrClN2O2S/c11-9-5-7(8(12)6-13-9)10(15)14-1-3-17(16)4-2-14/h5-6H,1-4H2
InChIKeyBYNPGPXXLTYJNA-UHFFFAOYSA-N
MW337.63 g/mol
LogP1.70
Rot. Bonds1

About (2-bromo-5-chloro-4-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone

(2-bromo-5-chloro-4-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone (PubChem CID 100628534) has the molecular formula C10H10BrClN2O2S and a molecular weight of 337.63 g/mol. Its IUPAC name is (2-bromo-5-chloro-4-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name(2-bromo-5-chloro-4-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
PubChem CID100628534
Molecular FormulaC10H10BrClN2O2S
Molecular Weight337.63 g/mol
Exact Mass335.93
IUPAC Name(2-bromo-5-chloro-4-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
SMILESO=C(c1cc(Br)ncc1Cl)N1CCS(=O)CC1
InChIInChI=1S/C10H10BrClN2O2S/c11-9-5-7(8(12)6-13-9)10(15)14-1-3-17(16)4-2-14/h5-6H,1-4H2
InChIKeyBYNPGPXXLTYJNA-UHFFFAOYSA-N
XLogP1.70
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.63
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (2-bromo-5-chloro-4-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone with MolForge

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Related Compounds

(4-chloro-6-methyl-3-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 81226375
(2,4-dichlorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 110721545
(2,5-dichloro-4-pyridinyl)-pyrrolidin-1-ylmethanone
CID 114917004
[5-bromo-2-(dimethylamino)-3-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 146131648
(4-bromo-2-methylphenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 56826294
(2,5-dichloro-4-pyridinyl)-(4-fluoropiperidin-1-yl)methanone
CID 172648288
1-(2-bromo-5-chloro-4-pyridinyl)-2,2-difluoroethanone
CID 171367557
[6-methyl-4-(methylamino)-3-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 81243142
(2,5-dichloro-4-pyridinyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 114918451
(3-hydroxy-4-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 80706861
(2,5-dichloro-4-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 114918455
(2,5-dichloro-4-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106668644

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-chloro-4-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of (2-bromo-5-chloro-4-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone (CID 100628534) is (2-bromo-5-chloro-4-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for (2-bromo-5-chloro-4-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for (2-bromo-5-chloro-4-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone is O=C(c1cc(Br)ncc1Cl)N1CCS(=O)CC1.
What is the InChIKey of (2-bromo-5-chloro-4-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is BYNPGPXXLTYJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN2O2S/c11-9-5-7(8(12)6-13-9)10(15)14-1-3-17(16)4-2-14/h5-6H,1-4H2.
What are the key properties of (2-bromo-5-chloro-4-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
(2-bromo-5-chloro-4-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 337.63 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-chloro-4-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 100628534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).