6-chloro-2-(4-fluorophenyl)-4-iodo-3-(methoxymethoxy)pyridine;6-chloro-2-(4-fluorophenyl)-4-iodopyridin-3-ol;1-[[6-chloro-2-(4-fluorophenyl)-4-iodo-3-pyridinyl]oxy]propan-2-one;(S)-N-[1-[[6-chloro-2-(4-fluorophenyl)-4-iodo-3-pyridinyl]oxy]propan-2-ylidene]-2-methylpropane-2-sulfinamide;6-chloro-2-(4-fluorophenyl)-3-(methoxymethoxy)pyridine;5-chloro-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-amine;(S)-N-[5-chloro-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;(S)-2-methylpropane-2-sulfinamide

C105H99Cl7F7I4N11O13S3 — CID 165035158

IUPAC6-chloro-2-(4-fluorophenyl)-4-iodo-3-(methoxymethoxy)pyridine;6-chloro-2-(4-fluorophenyl)-4-iodopyridin-3-ol;1-[[6-chloro-2-(4-fluorophenyl)-4-iodo-3-pyridinyl]oxy]propan-2-one;(S)-N-[1-[[6-chloro-2-(4-fluorophenyl)-4-iodo-3-pyridinyl]oxy]propan-2-ylidene]-2-methylpropane-2-sulfinamide;6-chloro-2-(4-fluorophenyl)-3-(methoxymethoxy)pyridine;5-chloro-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-amine;(S)-N-[5-chloro-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;(S)-2-methylpropane-2-sulfinamide
SMILESCC(=O)COc1c(I)cc(Cl)nc1-c1ccc(F)cc1.CC(C)(C)[S@@](N)=O.CC(COc1c(I)cc(Cl)nc1-c1ccc(F)cc1)=N[S@@](=O)C(C)(C)C.CC1(N)COc2c1cc(Cl)nc2-c1ccc(F)cc1.CC1(N[S@@](=O)C(C)(C)C)COc2c1cc(Cl)nc2-c1ccc(F)cc1.COCOc1c(I)cc(Cl)nc1-c1ccc(F)cc1.COCOc1ccc(Cl)nc1-c1ccc(F)cc1.Oc1c(I)cc(Cl)nc1-c1ccc(F)cc1
InChIInChI=1S/C18H19ClFIN2O2S.C18H20ClFN2O2S.C14H10ClFINO2.C14H12ClFN2O.C13H10ClFINO2.C13H11ClFNO2.C11H6ClFINO.C4H11NOS/c1-11(23-26(24)18(2,3)4)10-25-17-14(21)9-15(19)22-16(17)12-5-7-13(20)8-6-12;1-17(2,3)25(23)22-18(4)10-24-16-13(18)9-14(19)21-15(16)11-5-7-12(20)8-6-11;1-8(19)7-20-14-11(17)6-12(15)18-13(14)9-2-4-10(16)5-3-9;1-14(17)7-19-13-10(14)6-11(15)18-12(13)8-2-4-9(16)5-3-8;1-18-7-19-13-10(16)6-11(14)17-12(13)8-2-4-9(15)5-3-8;1-17-8-18-11-6-7-12(14)16-13(11)9-2-4-10(15)5-3-9;12-9-5-8(14)11(16)10(15-9)6-1-3-7(13)4-2-6;1-4(2,3)7(5)6/h5-9H,10H2,1-4H3;5-9,22H,10H2,1-4H3;2-6H,7H2,1H3;2-6H,7,17H2,1H3;2-6H,7H2,1H3;2-7H,8H2,1H3;1-5,16H;5H2,1-3H3/t26-;18?,25-;;;;;;7-/m00.....0/s1
InChIKeyNGRAILJJWWAQCO-AMWXJPNASA-N
MW2707.98 g/mol
LogP28.78
Rot. Bonds22

About 6-chloro-2-(4-fluorophenyl)-4-iodo-3-(methoxymethoxy)pyridine;6-chloro-2-(4-fluorophenyl)-4-iodopyridin-3-ol;1-[[6-chloro-2-(4-fluorophenyl)-4-iodo-3-pyridinyl]oxy]propan-2-one;(S)-N-[1-[[6-chloro-2-(4-fluorophenyl)-4-iodo-3-pyridinyl]oxy]propan-2-ylidene]-2-methylpropane-2-sulfinamide;6-chloro-2-(4-fluorophenyl)-3-(methoxymethoxy)pyridine;5-chloro-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-amine;(S)-N-[5-chloro-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;(S)-2-methylpropane-2-sulfinamide

6-chloro-2-(4-fluorophenyl)-4-iodo-3-(methoxymethoxy)pyridine;6-chloro-2-(4-fluorophenyl)-4-iodopyridin-3-ol;1-[[6-chloro-2-(4-fluorophenyl)-4-iodo-3-pyridinyl]oxy]propan-2-one;(S)-N-[1-[[6-chloro-2-(4-fluorophenyl)-4-iodo-3-pyridinyl]oxy]propan-2-ylidene]-2-methylpropane-2-sulfinamide;6-chloro-2-(4-fluorophenyl)-3-(methoxymethoxy)pyridine;5-chloro-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-amine;(S)-N-[5-chloro-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;(S)-2-methylpropane-2-sulfinamide (PubChem CID 165035158) has the molecular formula C105H99Cl7F7I4N11O13S3 and a molecular weight of 2707.98 g/mol. Its IUPAC name is 6-chloro-2-(4-fluorophenyl)-4-iodo-3-(methoxymethoxy)pyridine;6-chloro-2-(4-fluorophenyl)-4-iodopyridin-3-ol;1-[[6-chloro-2-(4-fluorophenyl)-4-iodo-3-pyridinyl]oxy]propan-2-one;(S)-N-[1-[[6-chloro-2-(4-fluorophenyl)-4-iodo-3-pyridinyl]oxy]propan-2-ylidene]-2-methylpropane-2-sulfinamide;6-chloro-2-(4-fluorophenyl)-3-(methoxymethoxy)pyridine;5-chloro-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-amine;(S)-N-[5-chloro-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;(S)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name6-chloro-2-(4-fluorophenyl)-4-iodo-3-(methoxymethoxy)pyridine;6-chloro-2-(4-fluorophenyl)-4-iodopyridin-3-ol;1-[[6-chloro-2-(4-fluorophenyl)-4-iodo-3-pyridinyl]oxy]propan-2-one;(S)-N-[1-[[6-chloro-2-(4-fluorophenyl)-4-iodo-3-pyridinyl]oxy]propan-2-ylidene]-2-methylpropane-2-sulfinamide;6-chloro-2-(4-fluorophenyl)-3-(methoxymethoxy)pyridine;5-chloro-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-amine;(S)-N-[5-chloro-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;(S)-2-methylpropane-2-sulfinamide
PubChem CID165035158
Molecular FormulaC105H99Cl7F7I4N11O13S3
Molecular Weight2707.98 g/mol
Exact Mass2703.05
IUPAC Name6-chloro-2-(4-fluorophenyl)-4-iodo-3-(methoxymethoxy)pyridine;6-chloro-2-(4-fluorophenyl)-4-iodopyridin-3-ol;1-[[6-chloro-2-(4-fluorophenyl)-4-iodo-3-pyridinyl]oxy]propan-2-one;(S)-N-[1-[[6-chloro-2-(4-fluorophenyl)-4-iodo-3-pyridinyl]oxy]propan-2-ylidene]-2-methylpropane-2-sulfinamide;6-chloro-2-(4-fluorophenyl)-3-(methoxymethoxy)pyridine;5-chloro-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-amine;(S)-N-[5-chloro-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;(S)-2-methylpropane-2-sulfinamide
SMILESCC(=O)COc1c(I)cc(Cl)nc1-c1ccc(F)cc1.CC(C)(C)[S@@](N)=O.CC(COc1c(I)cc(Cl)nc1-c1ccc(F)cc1)=N[S@@](=O)C(C)(C)C.CC1(N)COc2c1cc(Cl)nc2-c1ccc(F)cc1.CC1(N[S@@](=O)C(C)(C)C)COc2c1cc(Cl)nc2-c1ccc(F)cc1.COCOc1c(I)cc(Cl)nc1-c1ccc(F)cc1.COCOc1ccc(Cl)nc1-c1ccc(F)cc1.Oc1c(I)cc(Cl)nc1-c1ccc(F)cc1
InChIInChI=1S/C18H19ClFIN2O2S.C18H20ClFN2O2S.C14H10ClFINO2.C14H12ClFN2O.C13H10ClFINO2.C13H11ClFNO2.C11H6ClFINO.C4H11NOS/c1-11(23-26(24)18(2,3)4)10-25-17-14(21)9-15(19)22-16(17)12-5-7-13(20)8-6-12;1-17(2,3)25(23)22-18(4)10-24-16-13(18)9-14(19)21-15(16)11-5-7-12(20)8-6-11;1-8(19)7-20-14-11(17)6-12(15)18-13(14)9-2-4-10(16)5-3-9;1-14(17)7-19-13-10(14)6-11(15)18-12(13)8-2-4-9(16)5-3-8;1-18-7-19-13-10(16)6-11(14)17-12(13)8-2-4-9(15)5-3-8;1-17-8-18-11-6-7-12(14)16-13(11)9-2-4-10(15)5-3-9;12-9-5-8(14)11(16)10(15-9)6-1-3-7(13)4-2-6;1-4(2,3)7(5)6/h5-9H,10H2,1-4H3;5-9,22H,10H2,1-4H3;2-6H,7H2,1H3;2-6H,7,17H2,1H3;2-6H,7H2,1H3;2-7H,8H2,1H3;1-5,16H;5H2,1-3H3/t26-;18?,25-;;;;;;7-/m00.....0/s1
InChIKeyNGRAILJJWWAQCO-AMWXJPNASA-N
XLogP28.78
TPSA329.01 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds22
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002707.98
LogP ≤ 528.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 6-chloro-2-(4-fluorophenyl)-4-iodo-3-(methoxymethoxy)pyridine;6-chloro-2-(4-fluorophenyl)-4-iodopyridin-3-ol;1-[[6-chloro-2-(4-fluorophenyl)-4-iodo-3-pyridinyl]oxy]propan-2-one;(S)-N-[1-[[6-chloro-2-(4-fluorophenyl)-4-iodo-3-pyridinyl]oxy]propan-2-ylidene]-2-methylpropane-2-sulfinamide;6-chloro-2-(4-fluorophenyl)-3-(methoxymethoxy)pyridine;5-chloro-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-amine;(S)-N-[5-chloro-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;(S)-2-methylpropane-2-sulfinamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-fluorophenyl)-4-iodo-3-(methoxymethoxy)pyridine;6-chloro-2-(4-fluorophenyl)-4-iodopyridin-3-ol;1-[[6-chloro-2-(4-fluorophenyl)-4-iodo-3-pyridinyl]oxy]propan-2-one;(S)-N-[1-[[6-chloro-2-(4-fluorophenyl)-4-iodo-3-pyridinyl]oxy]propan-2-ylidene]-2-methylpropane-2-sulfinamide;6-chloro-2-(4-fluorophenyl)-3-(methoxymethoxy)pyridine;5-chloro-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-amine;(S)-N-[5-chloro-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;(S)-2-methylpropane-2-sulfinamide?
The IUPAC name of 6-chloro-2-(4-fluorophenyl)-4-iodo-3-(methoxymethoxy)pyridine;6-chloro-2-(4-fluorophenyl)-4-iodopyridin-3-ol;1-[[6-chloro-2-(4-fluorophenyl)-4-iodo-3-pyridinyl]oxy]propan-2-one;(S)-N-[1-[[6-chloro-2-(4-fluorophenyl)-4-iodo-3-pyridinyl]oxy]propan-2-ylidene]-2-methylpropane-2-sulfinamide;6-chloro-2-(4-fluorophenyl)-3-(methoxymethoxy)pyridine;5-chloro-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-amine;(S)-N-[5-chloro-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;(S)-2-methylpropane-2-sulfinamide (CID 165035158) is 6-chloro-2-(4-fluorophenyl)-4-iodo-3-(methoxymethoxy)pyridine;6-chloro-2-(4-fluorophenyl)-4-iodopyridin-3-ol;1-[[6-chloro-2-(4-fluorophenyl)-4-iodo-3-pyridinyl]oxy]propan-2-one;(S)-N-[1-[[6-chloro-2-(4-fluorophenyl)-4-iodo-3-pyridinyl]oxy]propan-2-ylidene]-2-methylpropane-2-sulfinamide;6-chloro-2-(4-fluorophenyl)-3-(methoxymethoxy)pyridine;5-chloro-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-amine;(S)-N-[5-chloro-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;(S)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for 6-chloro-2-(4-fluorophenyl)-4-iodo-3-(methoxymethoxy)pyridine;6-chloro-2-(4-fluorophenyl)-4-iodopyridin-3-ol;1-[[6-chloro-2-(4-fluorophenyl)-4-iodo-3-pyridinyl]oxy]propan-2-one;(S)-N-[1-[[6-chloro-2-(4-fluorophenyl)-4-iodo-3-pyridinyl]oxy]propan-2-ylidene]-2-methylpropane-2-sulfinamide;6-chloro-2-(4-fluorophenyl)-3-(methoxymethoxy)pyridine;5-chloro-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-amine;(S)-N-[5-chloro-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;(S)-2-methylpropane-2-sulfinamide?
The canonical SMILES for 6-chloro-2-(4-fluorophenyl)-4-iodo-3-(methoxymethoxy)pyridine;6-chloro-2-(4-fluorophenyl)-4-iodopyridin-3-ol;1-[[6-chloro-2-(4-fluorophenyl)-4-iodo-3-pyridinyl]oxy]propan-2-one;(S)-N-[1-[[6-chloro-2-(4-fluorophenyl)-4-iodo-3-pyridinyl]oxy]propan-2-ylidene]-2-methylpropane-2-sulfinamide;6-chloro-2-(4-fluorophenyl)-3-(methoxymethoxy)pyridine;5-chloro-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-amine;(S)-N-[5-chloro-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;(S)-2-methylpropane-2-sulfinamide is CC(=O)COc1c(I)cc(Cl)nc1-c1ccc(F)cc1.CC(C)(C)[S@@](N)=O.CC(COc1c(I)cc(Cl)nc1-c1ccc(F)cc1)=N[S@@](=O)C(C)(C)C.CC1(N)COc2c1cc(Cl)nc2-c1ccc(F)cc1.CC1(N[S@@](=O)C(C)(C)C)COc2c1cc(Cl)nc2-c1ccc(F)cc1.COCOc1c(I)cc(Cl)nc1-c1ccc(F)cc1.COCOc1ccc(Cl)nc1-c1ccc(F)cc1.Oc1c(I)cc(Cl)nc1-c1ccc(F)cc1.
What is the InChIKey of 6-chloro-2-(4-fluorophenyl)-4-iodo-3-(methoxymethoxy)pyridine;6-chloro-2-(4-fluorophenyl)-4-iodopyridin-3-ol;1-[[6-chloro-2-(4-fluorophenyl)-4-iodo-3-pyridinyl]oxy]propan-2-one;(S)-N-[1-[[6-chloro-2-(4-fluorophenyl)-4-iodo-3-pyridinyl]oxy]propan-2-ylidene]-2-methylpropane-2-sulfinamide;6-chloro-2-(4-fluorophenyl)-3-(methoxymethoxy)pyridine;5-chloro-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-amine;(S)-N-[5-chloro-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;(S)-2-methylpropane-2-sulfinamide?
The InChIKey is NGRAILJJWWAQCO-AMWXJPNASA-N. The full InChI is InChI=1S/C18H19ClFIN2O2S.C18H20ClFN2O2S.C14H10ClFINO2.C14H12ClFN2O.C13H10ClFINO2.C13H11ClFNO2.C11H6ClFINO.C4H11NOS/c1-11(23-26(24)18(2,3)4)10-25-17-14(21)9-15(19)22-16(17)12-5-7-13(20)8-6-12;1-17(2,3)25(23)22-18(4)10-24-16-13(18)9-14(19)21-15(16)11-5-7-12(20)8-6-11;1-8(19)7-20-14-11(17)6-12(15)18-13(14)9-2-4-10(16)5-3-9;1-14(17)7-19-13-10(14)6-11(15)18-12(13)8-2-4-9(16)5-3-8;1-18-7-19-13-10(16)6-11(14)17-12(13)8-2-4-9(15)5-3-8;1-17-8-18-11-6-7-12(14)16-13(11)9-2-4-10(15)5-3-9;12-9-5-8(14)11(16)10(15-9)6-1-3-7(13)4-2-6;1-4(2,3)7(5)6/h5-9H,10H2,1-4H3;5-9,22H,10H2,1-4H3;2-6H,7H2,1H3;2-6H,7,17H2,1H3;2-6H,7H2,1H3;2-7H,8H2,1H3;1-5,16H;5H2,1-3H3/t26-;18?,25-;;;;;;7-/m00.....0/s1.
What are the key properties of 6-chloro-2-(4-fluorophenyl)-4-iodo-3-(methoxymethoxy)pyridine;6-chloro-2-(4-fluorophenyl)-4-iodopyridin-3-ol;1-[[6-chloro-2-(4-fluorophenyl)-4-iodo-3-pyridinyl]oxy]propan-2-one;(S)-N-[1-[[6-chloro-2-(4-fluorophenyl)-4-iodo-3-pyridinyl]oxy]propan-2-ylidene]-2-methylpropane-2-sulfinamide;6-chloro-2-(4-fluorophenyl)-3-(methoxymethoxy)pyridine;5-chloro-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-amine;(S)-N-[5-chloro-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;(S)-2-methylpropane-2-sulfinamide?
6-chloro-2-(4-fluorophenyl)-4-iodo-3-(methoxymethoxy)pyridine;6-chloro-2-(4-fluorophenyl)-4-iodopyridin-3-ol;1-[[6-chloro-2-(4-fluorophenyl)-4-iodo-3-pyridinyl]oxy]propan-2-one;(S)-N-[1-[[6-chloro-2-(4-fluorophenyl)-4-iodo-3-pyridinyl]oxy]propan-2-ylidene]-2-methylpropane-2-sulfinamide;6-chloro-2-(4-fluorophenyl)-3-(methoxymethoxy)pyridine;5-chloro-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-amine;(S)-N-[5-chloro-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;(S)-2-methylpropane-2-sulfinamide has a molecular weight of 2707.98 g/mol, XLogP of 28.78, 22 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-fluorophenyl)-4-iodo-3-(methoxymethoxy)pyridine;6-chloro-2-(4-fluorophenyl)-4-iodopyridin-3-ol;1-[[6-chloro-2-(4-fluorophenyl)-4-iodo-3-pyridinyl]oxy]propan-2-one;(S)-N-[1-[[6-chloro-2-(4-fluorophenyl)-4-iodo-3-pyridinyl]oxy]propan-2-ylidene]-2-methylpropane-2-sulfinamide;6-chloro-2-(4-fluorophenyl)-3-(methoxymethoxy)pyridine;5-chloro-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-amine;(S)-N-[5-chloro-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;(S)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 165035158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).