6-chloro-1-(1,3-dihydroxypropan-2-yl)-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-4-hydroxybutan-2-yl]-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3S)-1-hydroxypentan-3-yl]-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3R)-1-hydroxypentan-3-yl]-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(3-hydroxypropyl)-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;sulfane

C50H59Cl5I5N15O11S2 — CID 158050248

About 6-chloro-1-(1,3-dihydroxypropan-2-yl)-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-4-hydroxybutan-2-yl]-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3S)-1-hydroxypentan-3-yl]-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3R)-1-hydroxypentan-3-yl]-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(3-hydroxypropyl)-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;sulfane

6-chloro-1-(1,3-dihydroxypropan-2-yl)-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-4-hydroxybutan-2-yl]-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3S)-1-hydroxypentan-3-yl]-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3R)-1-hydroxypentan-3-yl]-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(3-hydroxypropyl)-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;sulfane (PubChem CID 158050248) has the molecular formula C50H59Cl5I5N15O11S2 and a molecular weight of 1922.04 g/mol. Its IUPAC name is 6-chloro-1-(1,3-dihydroxypropan-2-yl)-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-4-hydroxybutan-2-yl]-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3S)-1-hydroxypentan-3-yl]-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3R)-1-hydroxypentan-3-yl]-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(3-hydroxypropyl)-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;sulfane.

Molecular Properties

• Compound Name: 6-chloro-1-(1,3-dihydroxypropan-2-yl)-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-4-hydroxybutan-2-yl]-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3S)-1-hydroxypentan-3-yl]-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3R)-1-hydroxypentan-3-yl]-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(3-hydroxypropyl)-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;sulfane
• PubChem CID: 158050248
• Molecular Formula: C50H59Cl5I5N15O11S2
• Molecular Weight: 1922.04 g/mol
• Exact Mass: 1918.76
• IUPAC Name: 6-chloro-1-(1,3-dihydroxypropan-2-yl)-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-4-hydroxybutan-2-yl]-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3S)-1-hydroxypentan-3-yl]-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3R)-1-hydroxypentan-3-yl]-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(3-hydroxypropyl)-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;sulfane
• SMILES: CC[C@@H](CCO)n1c(=O)[nH]c2ncc(Cl)c(I)c21.CC[C@H](CCO)n1c(=O)[nH]c2ncc(Cl)c(I)c21.C[C@@H](CCO)n1c(=O)[nH]c2ncc(Cl)c(I)c21.O=c1[nH]c2ncc(Cl)c(I)c2n1C(CO)CO.O=c1[nH]c2ncc(Cl)c(I)c2n1CCCO.S.S
• InChI: InChI=1S/2C11H13ClIN3O2.C10H11ClIN3O2.C9H9ClIN3O3.C9H9ClIN3O2.2H2S/c2*1-2-6(3-4-17)16-9-8(13)7(12)5-14-10(9)15-11(16)18;1-5(2-3-16)15-8-7(12)6(11)4-13-9(8)14-10(15)17;10-5-1-12-8-7(6(5)11)14(9(17)13-8)4(2-15)3-16;10-5-4-12-8-7(6(5)11)14(2-1-3-15)9(16)13-8;;/h2*5-6,17H,2-4H2,1H3,(H,14,15,18);4-5,16H,2-3H2,1H3,(H,13,14,17);1,4,15-16H,2-3H2,(H,12,13,17);4,15H,1-3H2,(H,12,13,16);2*1H2/t2*6-;5-;;;;/m100..../s1
• InChIKey: FJJUSONUMNDJJE-DWHXDOQPSA-N
• XLogP: 8.66
• TPSA: 374.78 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 21
• Rotatable Bonds: 17
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1922.04
LogP ≤ 5	8.66
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(1,3-dihydroxypropan-2-yl)-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-4-hydroxybutan-2-yl]-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3S)-1-hydroxypentan-3-yl]-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3R)-1-hydroxypentan-3-yl]-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(3-hydroxypropyl)-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;sulfane?

The IUPAC name of 6-chloro-1-(1,3-dihydroxypropan-2-yl)-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-4-hydroxybutan-2-yl]-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3S)-1-hydroxypentan-3-yl]-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3R)-1-hydroxypentan-3-yl]-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(3-hydroxypropyl)-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;sulfane (CID 158050248) is 6-chloro-1-(1,3-dihydroxypropan-2-yl)-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-4-hydroxybutan-2-yl]-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3S)-1-hydroxypentan-3-yl]-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3R)-1-hydroxypentan-3-yl]-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(3-hydroxypropyl)-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;sulfane.

What is the SMILES notation for 6-chloro-1-(1,3-dihydroxypropan-2-yl)-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-4-hydroxybutan-2-yl]-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3S)-1-hydroxypentan-3-yl]-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3R)-1-hydroxypentan-3-yl]-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(3-hydroxypropyl)-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;sulfane?

The canonical SMILES for 6-chloro-1-(1,3-dihydroxypropan-2-yl)-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-4-hydroxybutan-2-yl]-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3S)-1-hydroxypentan-3-yl]-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3R)-1-hydroxypentan-3-yl]-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(3-hydroxypropyl)-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;sulfane is CC[C@@H](CCO)n1c(=O)[nH]c2ncc(Cl)c(I)c21.CC[C@H](CCO)n1c(=O)[nH]c2ncc(Cl)c(I)c21.C[C@@H](CCO)n1c(=O)[nH]c2ncc(Cl)c(I)c21.O=c1[nH]c2ncc(Cl)c(I)c2n1C(CO)CO.O=c1[nH]c2ncc(Cl)c(I)c2n1CCCO.S.S.

What is the InChIKey of 6-chloro-1-(1,3-dihydroxypropan-2-yl)-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-4-hydroxybutan-2-yl]-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3S)-1-hydroxypentan-3-yl]-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3R)-1-hydroxypentan-3-yl]-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(3-hydroxypropyl)-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;sulfane?

The InChIKey is FJJUSONUMNDJJE-DWHXDOQPSA-N. The full InChI is InChI=1S/2C11H13ClIN3O2.C10H11ClIN3O2.C9H9ClIN3O3.C9H9ClIN3O2.2H2S/c2*1-2-6(3-4-17)16-9-8(13)7(12)5-14-10(9)15-11(16)18;1-5(2-3-16)15-8-7(12)6(11)4-13-9(8)14-10(15)17;10-5-1-12-8-7(6(5)11)14(9(17)13-8)4(2-15)3-16;10-5-4-12-8-7(6(5)11)14(2-1-3-15)9(16)13-8;;/h2*5-6,17H,2-4H2,1H3,(H,14,15,18);4-5,16H,2-3H2,1H3,(H,13,14,17);1,4,15-16H,2-3H2,(H,12,13,17);4,15H,1-3H2,(H,12,13,16);2*1H2/t2*6-;5-;;;;/m100..../s1.

What are the key properties of 6-chloro-1-(1,3-dihydroxypropan-2-yl)-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-4-hydroxybutan-2-yl]-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3S)-1-hydroxypentan-3-yl]-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3R)-1-hydroxypentan-3-yl]-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(3-hydroxypropyl)-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;sulfane?

6-chloro-1-(1,3-dihydroxypropan-2-yl)-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-4-hydroxybutan-2-yl]-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3S)-1-hydroxypentan-3-yl]-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3R)-1-hydroxypentan-3-yl]-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(3-hydroxypropyl)-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;sulfane has a molecular weight of 1922.04 g/mol, XLogP of 8.66, 17 rotatable bonds, 11 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-1-(1,3-dihydroxypropan-2-yl)-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-4-hydroxybutan-2-yl]-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3S)-1-hydroxypentan-3-yl]-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3R)-1-hydroxypentan-3-yl]-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(3-hydroxypropyl)-7-iodo-3H-imidazo[4,5-b]pyridin-2-one;sulfane is sourced from PubChem (CID 158050248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).