N-(5-bromo-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide

C12H10BrN3OS — CID 934679

IUPACN-(5-bromo-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)Nc1ccc(Br)cn1
InChIInChI=1S/C12H10BrN3OS/c13-9-4-5-10(15-7-9)16-11(17)8-18-12-3-1-2-6-14-12/h1-7H,8H2,(H,15,16,17)
InChIKeyBFXWBJGOGXAQOZ-UHFFFAOYSA-N
MW324.20 g/mol
LogP2.97
Rot. Bonds4

About N-(5-bromo-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide

N-(5-bromo-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide (PubChem CID 934679) has the molecular formula C12H10BrN3OS and a molecular weight of 324.20 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide
PubChem CID934679
Molecular FormulaC12H10BrN3OS
Molecular Weight324.20 g/mol
Exact Mass322.97
IUPAC NameN-(5-bromo-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)Nc1ccc(Br)cn1
InChIInChI=1S/C12H10BrN3OS/c13-9-4-5-10(15-7-9)16-11(17)8-18-12-3-1-2-6-14-12/h1-7H,8H2,(H,15,16,17)
InChIKeyBFXWBJGOGXAQOZ-UHFFFAOYSA-N
XLogP2.97
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide (CID 934679) is N-(5-bromo-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide is O=C(CSc1ccccn1)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is BFXWBJGOGXAQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3OS/c13-9-4-5-10(15-7-9)16-11(17)8-18-12-3-1-2-6-14-12/h1-7H,8H2,(H,15,16,17).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide?
N-(5-bromo-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 324.20 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 934679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).