(4-bromo-2-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-1-yl) thiohypoiodite

C8H6BrIN2OS — CID 146326744

IUPAC(4-bromo-2-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-1-yl) thiohypoiodite
SMILESCc1cc2c(Br)c[nH]c(=O)c2n1SI
InChIInChI=1S/C8H6BrIN2OS/c1-4-2-5-6(9)3-11-8(13)7(5)12(4)14-10/h2-3H,1H3,(H,11,13)
InChIKeyKOFKRJBMSFYVDB-UHFFFAOYSA-N
MW385.02 g/mol
LogP3.25
Rot. Bonds1

About (4-bromo-2-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-1-yl) thiohypoiodite

(4-bromo-2-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-1-yl) thiohypoiodite (PubChem CID 146326744) has the molecular formula C8H6BrIN2OS and a molecular weight of 385.02 g/mol. Its IUPAC name is (4-bromo-2-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-1-yl) thiohypoiodite.

Molecular Properties

Compound Name(4-bromo-2-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-1-yl) thiohypoiodite
PubChem CID146326744
Molecular FormulaC8H6BrIN2OS
Molecular Weight385.02 g/mol
Exact Mass383.84
IUPAC Name(4-bromo-2-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-1-yl) thiohypoiodite
SMILESCc1cc2c(Br)c[nH]c(=O)c2n1SI
InChIInChI=1S/C8H6BrIN2OS/c1-4-2-5-6(9)3-11-8(13)7(5)12(4)14-10/h2-3H,1H3,(H,11,13)
InChIKeyKOFKRJBMSFYVDB-UHFFFAOYSA-N
XLogP3.25
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.02
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-bromo-1-iodosulfanyl-2-methylindole-7-carboxylate
CID 138641352
(4-bromo-2-formyl-6-methyl-7-oxopyrrolo[2,3-c]pyridin-1-yl) thiohypoiodite
CID 176938584
3-bromo-5-sulfanyl-1H-pyridin-2-one
CID 150972651
[4-(bromomethyl)-2-methylindol-1-yl] thiohypoiodite
CID 139538070
7-bromo-1-methyl-5H-imidazo[4,5-c]pyridin-4-one
CID 915511
3-bromo-1,5-dimethyl-6H-pyrrolo[2,3-c]pyridin-7-one
CID 155803961
3-bromo-5-methoxy-1H-pyridin-2-one
CID 74891310
4-bromo-2H-2,6-naphthyridin-1-one
CID 118436923
3-bromo-6-iodo-7-methyl-1H-1,8-naphthyridin-4-one
CID 102941606
5-bromo-2-methoxy-1H-pyridin-4-one
CID 74890654
3,5-dibromo-2-methyl-1H-pyridin-4-one
CID 126572034
5-bromo-4-iodo-1H-pyridin-2-one
CID 155487608

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-1-yl) thiohypoiodite?
The IUPAC name of (4-bromo-2-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-1-yl) thiohypoiodite (CID 146326744) is (4-bromo-2-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-1-yl) thiohypoiodite.
What is the SMILES notation for (4-bromo-2-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-1-yl) thiohypoiodite?
The canonical SMILES for (4-bromo-2-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-1-yl) thiohypoiodite is Cc1cc2c(Br)c[nH]c(=O)c2n1SI.
What is the InChIKey of (4-bromo-2-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-1-yl) thiohypoiodite?
The InChIKey is KOFKRJBMSFYVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrIN2OS/c1-4-2-5-6(9)3-11-8(13)7(5)12(4)14-10/h2-3H,1H3,(H,11,13).
What are the key properties of (4-bromo-2-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-1-yl) thiohypoiodite?
(4-bromo-2-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-1-yl) thiohypoiodite has a molecular weight of 385.02 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-1-yl) thiohypoiodite is sourced from PubChem (CID 146326744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).