[6-[1-(benzenesulfonyl)-2-iodopyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]methanol

C19H14IN3O3S — CID 129186694

IUPAC[6-[1-(benzenesulfonyl)-2-iodopyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]methanol
SMILESO=S(=O)(c1ccccc1)n1c(I)cc2cc(-c3cccc(CO)n3)cnc21
InChIInChI=1S/C19H14IN3O3S/c20-18-10-13-9-14(17-8-4-5-15(12-24)22-17)11-21-19(13)23(18)27(25,26)16-6-2-1-3-7-16/h1-11,24H,12H2
InChIKeyMJXGDNMTTUNUHW-UHFFFAOYSA-N
MW491.31 g/mol
LogP3.43
Rot. Bonds4

About [6-[1-(benzenesulfonyl)-2-iodopyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]methanol

[6-[1-(benzenesulfonyl)-2-iodopyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]methanol (PubChem CID 129186694) has the molecular formula C19H14IN3O3S and a molecular weight of 491.31 g/mol. Its IUPAC name is [6-[1-(benzenesulfonyl)-2-iodopyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[1-(benzenesulfonyl)-2-iodopyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]methanol
PubChem CID129186694
Molecular FormulaC19H14IN3O3S
Molecular Weight491.31 g/mol
Exact Mass490.98
IUPAC Name[6-[1-(benzenesulfonyl)-2-iodopyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]methanol
SMILESO=S(=O)(c1ccccc1)n1c(I)cc2cc(-c3cccc(CO)n3)cnc21
InChIInChI=1S/C19H14IN3O3S/c20-18-10-13-9-14(17-8-4-5-15(12-24)22-17)11-21-19(13)23(18)27(25,26)16-6-2-1-3-7-16/h1-11,24H,12H2
InChIKeyMJXGDNMTTUNUHW-UHFFFAOYSA-N
XLogP3.43
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.31
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [6-[1-(benzenesulfonyl)-2-iodopyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-[1-(benzenesulfonyl)-2-iodopyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]methanol?
The IUPAC name of [6-[1-(benzenesulfonyl)-2-iodopyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]methanol (CID 129186694) is [6-[1-(benzenesulfonyl)-2-iodopyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[1-(benzenesulfonyl)-2-iodopyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]methanol?
The canonical SMILES for [6-[1-(benzenesulfonyl)-2-iodopyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]methanol is O=S(=O)(c1ccccc1)n1c(I)cc2cc(-c3cccc(CO)n3)cnc21.
What is the InChIKey of [6-[1-(benzenesulfonyl)-2-iodopyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]methanol?
The InChIKey is MJXGDNMTTUNUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14IN3O3S/c20-18-10-13-9-14(17-8-4-5-15(12-24)22-17)11-21-19(13)23(18)27(25,26)16-6-2-1-3-7-16/h1-11,24H,12H2.
What are the key properties of [6-[1-(benzenesulfonyl)-2-iodopyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]methanol?
[6-[1-(benzenesulfonyl)-2-iodopyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]methanol has a molecular weight of 491.31 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[1-(benzenesulfonyl)-2-iodopyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 129186694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).