N-(5-acetyl-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl)-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-(1-hydroxyethyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)pyridin-3-ol;2-chloropyridin-3-ol;methane

C78H118Cl7I3N10O17S3 — CID 158873678

IUPACN-(5-acetyl-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl)-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-(1-hydroxyethyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)pyridin-3-ol;2-chloropyridin-3-ol;methane
SMILESC.C.C.C.C.C.C.CC(=O)COc1c(I)cc(C(C)O)nc1Cl.CC(=O)c1cc2c(c(Cl)n1)OCC2(C)NS(=O)C(C)(C)C.CC(COc1c(I)cc(C(C)O)nc1Cl)=NS(=O)C(C)(C)C.CC(O)c1cc(I)c(O)c(Cl)n1.CC(O)c1cc2c(c(Cl)n1)OCC2(C)NS(=O)C(C)(C)C.CC(O)c1ccc(O)c(Cl)n1.Oc1cccnc1Cl
InChIInChI=1S/C14H20ClIN2O3S.C14H21ClN2O3S.C14H19ClN2O3S.C10H11ClINO3.C7H7ClINO2.C7H8ClNO2.C5H4ClNO.7CH4/c1-8(18-22(20)14(3,4)5)7-21-12-10(16)6-11(9(2)19)17-13(12)15;2*1-8(18)10-6-9-11(12(15)16-10)20-7-14(9,5)17-21(19)13(2,3)4;1-5(14)4-16-9-7(12)3-8(6(2)15)13-10(9)11;1-3(11)5-2-4(9)6(12)7(8)10-5;1-4(10)5-2-3-6(11)7(8)9-5;6-5-4(8)2-1-3-7-5;;;;;;;/h6,9,19H,7H2,1-5H3;6,8,17-18H,7H2,1-5H3;6,17H,7H2,1-5H3;3,6,15H,4H2,1-2H3;2-3,11-12H,1H3;2-4,10-11H,1H3;1-3,8H;7*1H4
InChIKeyJCDWIYLIROZUJV-UHFFFAOYSA-N
MW2192.94 g/mol
LogP20.59
Rot. Bonds17

About N-(5-acetyl-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl)-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-(1-hydroxyethyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)pyridin-3-ol;2-chloropyridin-3-ol;methane

N-(5-acetyl-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl)-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-(1-hydroxyethyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)pyridin-3-ol;2-chloropyridin-3-ol;methane (PubChem CID 158873678) has the molecular formula C78H118Cl7I3N10O17S3 and a molecular weight of 2192.94 g/mol. Its IUPAC name is N-(5-acetyl-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl)-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-(1-hydroxyethyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)pyridin-3-ol;2-chloropyridin-3-ol;methane.

Molecular Properties

Compound NameN-(5-acetyl-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl)-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-(1-hydroxyethyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)pyridin-3-ol;2-chloropyridin-3-ol;methane
PubChem CID158873678
Molecular FormulaC78H118Cl7I3N10O17S3
Molecular Weight2192.94 g/mol
Exact Mass2188.28
IUPAC NameN-(5-acetyl-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl)-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-(1-hydroxyethyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)pyridin-3-ol;2-chloropyridin-3-ol;methane
SMILESC.C.C.C.C.C.C.CC(=O)COc1c(I)cc(C(C)O)nc1Cl.CC(=O)c1cc2c(c(Cl)n1)OCC2(C)NS(=O)C(C)(C)C.CC(COc1c(I)cc(C(C)O)nc1Cl)=NS(=O)C(C)(C)C.CC(O)c1cc(I)c(O)c(Cl)n1.CC(O)c1cc2c(c(Cl)n1)OCC2(C)NS(=O)C(C)(C)C.CC(O)c1ccc(O)c(Cl)n1.Oc1cccnc1Cl
InChIInChI=1S/C14H20ClIN2O3S.C14H21ClN2O3S.C14H19ClN2O3S.C10H11ClINO3.C7H7ClINO2.C7H8ClNO2.C5H4ClNO.7CH4/c1-8(18-22(20)14(3,4)5)7-21-12-10(16)6-11(9(2)19)17-13(12)15;2*1-8(18)10-6-9-11(12(15)16-10)20-7-14(9,5)17-21(19)13(2,3)4;1-5(14)4-16-9-7(12)3-8(6(2)15)13-10(9)11;1-3(11)5-2-4(9)6(12)7(8)10-5;1-4(10)5-2-3-6(11)7(8)9-5;6-5-4(8)2-1-3-7-5;;;;;;;/h6,9,19H,7H2,1-5H3;6,8,17-18H,7H2,1-5H3;6,17H,7H2,1-5H3;3,6,15H,4H2,1-2H3;2-3,11-12H,1H3;2-4,10-11H,1H3;1-3,8H;7*1H4
InChIKeyJCDWIYLIROZUJV-UHFFFAOYSA-N
XLogP20.59
TPSA410.76 Ų
H-Bond Donors10
H-Bond Acceptors24
Rotatable Bonds17
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002192.94
LogP ≤ 520.59
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-(5-acetyl-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl)-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-(1-hydroxyethyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)pyridin-3-ol;2-chloropyridin-3-ol;methane 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 N-(5-acetyl-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl)-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-(1-hydroxyethyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)pyridin-3-ol;2-chloropyridin-3-ol;methane?
The IUPAC name of N-(5-acetyl-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl)-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-(1-hydroxyethyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)pyridin-3-ol;2-chloropyridin-3-ol;methane (CID 158873678) is N-(5-acetyl-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl)-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-(1-hydroxyethyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)pyridin-3-ol;2-chloropyridin-3-ol;methane.
What is the SMILES notation for N-(5-acetyl-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl)-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-(1-hydroxyethyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)pyridin-3-ol;2-chloropyridin-3-ol;methane?
The canonical SMILES for N-(5-acetyl-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl)-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-(1-hydroxyethyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)pyridin-3-ol;2-chloropyridin-3-ol;methane is C.C.C.C.C.C.C.CC(=O)COc1c(I)cc(C(C)O)nc1Cl.CC(=O)c1cc2c(c(Cl)n1)OCC2(C)NS(=O)C(C)(C)C.CC(COc1c(I)cc(C(C)O)nc1Cl)=NS(=O)C(C)(C)C.CC(O)c1cc(I)c(O)c(Cl)n1.CC(O)c1cc2c(c(Cl)n1)OCC2(C)NS(=O)C(C)(C)C.CC(O)c1ccc(O)c(Cl)n1.Oc1cccnc1Cl.
What is the InChIKey of N-(5-acetyl-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl)-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-(1-hydroxyethyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)pyridin-3-ol;2-chloropyridin-3-ol;methane?
The InChIKey is JCDWIYLIROZUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClIN2O3S.C14H21ClN2O3S.C14H19ClN2O3S.C10H11ClINO3.C7H7ClINO2.C7H8ClNO2.C5H4ClNO.7CH4/c1-8(18-22(20)14(3,4)5)7-21-12-10(16)6-11(9(2)19)17-13(12)15;2*1-8(18)10-6-9-11(12(15)16-10)20-7-14(9,5)17-21(19)13(2,3)4;1-5(14)4-16-9-7(12)3-8(6(2)15)13-10(9)11;1-3(11)5-2-4(9)6(12)7(8)10-5;1-4(10)5-2-3-6(11)7(8)9-5;6-5-4(8)2-1-3-7-5;;;;;;;/h6,9,19H,7H2,1-5H3;6,8,17-18H,7H2,1-5H3;6,17H,7H2,1-5H3;3,6,15H,4H2,1-2H3;2-3,11-12H,1H3;2-4,10-11H,1H3;1-3,8H;7*1H4.
What are the key properties of N-(5-acetyl-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl)-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-(1-hydroxyethyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)pyridin-3-ol;2-chloropyridin-3-ol;methane?
N-(5-acetyl-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl)-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-(1-hydroxyethyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)pyridin-3-ol;2-chloropyridin-3-ol;methane has a molecular weight of 2192.94 g/mol, XLogP of 20.59, 17 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl)-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]propan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-(1-hydroxyethyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)pyridin-3-ol;2-chloropyridin-3-ol;methane is sourced from PubChem (CID 158873678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).