5-bromo-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-sulfinamide

C9H10BrN3OS — CID 144889171

IUPAC5-bromo-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-sulfinamide
SMILESCN(C)S(=O)c1c[nH]c2ncc(Br)cc12
InChIInChI=1S/C9H10BrN3OS/c1-13(2)15(14)8-5-12-9-7(8)3-6(10)4-11-9/h3-5H,1-2H3,(H,11,12)
InChIKeyBCRZAMJYFCWPME-UHFFFAOYSA-N
MW288.17 g/mol
LogP1.91
Rot. Bonds2

About 5-bromo-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-sulfinamide

5-bromo-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-sulfinamide (PubChem CID 144889171) has the molecular formula C9H10BrN3OS and a molecular weight of 288.17 g/mol. Its IUPAC name is 5-bromo-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-sulfinamide.

Molecular Properties

Compound Name5-bromo-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-sulfinamide
PubChem CID144889171
Molecular FormulaC9H10BrN3OS
Molecular Weight288.17 g/mol
Exact Mass286.97
IUPAC Name5-bromo-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-sulfinamide
SMILESCN(C)S(=O)c1c[nH]c2ncc(Br)cc12
InChIInChI=1S/C9H10BrN3OS/c1-13(2)15(14)8-5-12-9-7(8)3-6(10)4-11-9/h3-5H,1-2H3,(H,11,12)
InChIKeyBCRZAMJYFCWPME-UHFFFAOYSA-N
XLogP1.91
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-sulfinamide?
The IUPAC name of 5-bromo-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-sulfinamide (CID 144889171) is 5-bromo-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-sulfinamide.
What is the SMILES notation for 5-bromo-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-sulfinamide?
The canonical SMILES for 5-bromo-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-sulfinamide is CN(C)S(=O)c1c[nH]c2ncc(Br)cc12.
What is the InChIKey of 5-bromo-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-sulfinamide?
The InChIKey is BCRZAMJYFCWPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3OS/c1-13(2)15(14)8-5-12-9-7(8)3-6(10)4-11-9/h3-5H,1-2H3,(H,11,12).
What are the key properties of 5-bromo-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-sulfinamide?
5-bromo-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-sulfinamide has a molecular weight of 288.17 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-sulfinamide is sourced from PubChem (CID 144889171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).