[1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutyl]methanol;[1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutyl]methyl methanesulfonate;1,3-dibromopropan-2-yloxymethylbenzene;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutane-1-carboxylate

C77H72Br2Cl8F4N4O9S — CID 159412020

IUPAC[1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutyl]methanol;[1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutyl]methyl methanesulfonate;1,3-dibromopropan-2-yloxymethylbenzene;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutane-1-carboxylate
SMILESBrCC(CBr)OCc1ccccc1.CC1CC(CO)(c2cc(Cl)nc(-c3ccc(F)c(Cl)c3)c2)C1.CC1CC(COS(C)(=O)=O)(c2cc(Cl)nc(-c3ccc(F)c(Cl)c3)c2)C1.COC(=O)C1(c2cc(Cl)nc(-c3ccc(F)c(Cl)c3)c2)CC(C)C1.COC(=O)Cc1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C18H18Cl2FNO3S.C18H16Cl2FNO2.C17H16Cl2FNO.C14H10Cl2FNO2.C10H12Br2O/c1-11-8-18(9-11,10-25-26(2,23)24)13-6-16(22-17(20)7-13)12-3-4-15(21)14(19)5-12;1-10-8-18(9-10,17(23)24-2)12-6-15(22-16(20)7-12)11-3-4-14(21)13(19)5-11;1-10-7-17(8-10,9-22)12-5-15(21-16(19)6-12)11-2-3-14(20)13(18)4-11;1-20-14(19)6-8-4-12(18-13(16)5-8)9-2-3-11(17)10(15)7-9;11-6-10(7-12)13-8-9-4-2-1-3-5-9/h3-7,11H,8-10H2,1-2H3;3-7,10H,8-9H2,1-2H3;2-6,10,22H,7-9H2,1H3;2-5,7H,6H2,1H3;1-5,10H,6-8H2
InChIKeyLORQQKLHOITTFM-UHFFFAOYSA-N
MW1748.93 g/mol
LogP22.00
Rot. Bonds19

About [1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutyl]methanol;[1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutyl]methyl methanesulfonate;1,3-dibromopropan-2-yloxymethylbenzene;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutane-1-carboxylate

[1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutyl]methanol;[1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutyl]methyl methanesulfonate;1,3-dibromopropan-2-yloxymethylbenzene;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutane-1-carboxylate (PubChem CID 159412020) has the molecular formula C77H72Br2Cl8F4N4O9S and a molecular weight of 1748.93 g/mol. Its IUPAC name is [1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutyl]methanol;[1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutyl]methyl methanesulfonate;1,3-dibromopropan-2-yloxymethylbenzene;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutane-1-carboxylate.

Molecular Properties

Compound Name[1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutyl]methanol;[1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutyl]methyl methanesulfonate;1,3-dibromopropan-2-yloxymethylbenzene;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutane-1-carboxylate
PubChem CID159412020
Molecular FormulaC77H72Br2Cl8F4N4O9S
Molecular Weight1748.93 g/mol
Exact Mass1742.08
IUPAC Name[1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutyl]methanol;[1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutyl]methyl methanesulfonate;1,3-dibromopropan-2-yloxymethylbenzene;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutane-1-carboxylate
SMILESBrCC(CBr)OCc1ccccc1.CC1CC(CO)(c2cc(Cl)nc(-c3ccc(F)c(Cl)c3)c2)C1.CC1CC(COS(C)(=O)=O)(c2cc(Cl)nc(-c3ccc(F)c(Cl)c3)c2)C1.COC(=O)C1(c2cc(Cl)nc(-c3ccc(F)c(Cl)c3)c2)CC(C)C1.COC(=O)Cc1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C18H18Cl2FNO3S.C18H16Cl2FNO2.C17H16Cl2FNO.C14H10Cl2FNO2.C10H12Br2O/c1-11-8-18(9-11,10-25-26(2,23)24)13-6-16(22-17(20)7-13)12-3-4-15(21)14(19)5-12;1-10-8-18(9-10,17(23)24-2)12-6-15(22-16(20)7-12)11-3-4-14(21)13(19)5-11;1-10-7-17(8-10,9-22)12-5-15(21-16(19)6-12)11-2-3-14(20)13(18)4-11;1-20-14(19)6-8-4-12(18-13(16)5-8)9-2-3-11(17)10(15)7-9;11-6-10(7-12)13-8-9-4-2-1-3-5-9/h3-7,11H,8-10H2,1-2H3;3-7,10H,8-9H2,1-2H3;2-6,10,22H,7-9H2,1H3;2-5,7H,6H2,1H3;1-5,10H,6-8H2
InChIKeyLORQQKLHOITTFM-UHFFFAOYSA-N
XLogP22.00
TPSA176.99 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds19
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001748.93
LogP ≤ 522.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze [1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutyl]methanol;[1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutyl]methyl methanesulfonate;1,3-dibromopropan-2-yloxymethylbenzene;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutane-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

2-Chloro-6-(3-chloro-4-fluorophenyl)-4-(1,3-dimethylcyclobutyl)pyridine;[1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutyl]methanol;[1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutyl]methyl methanesulfonate;1,3-dibromopropan-2-yloxymethylbenzene;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutane-1-carboxylate
CID 157134899
[1-[2-Chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutyl]methanol;[1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutyl]methyl methanesulfonate;1,3-dibromopropan-2-yloxymethylbenzene;methane;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutane-1-carboxylate
CID 157135124
2-[2-Chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methyl-3-phenylmethoxypropan-1-ol;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methylpropane-1,3-diol;2,6-dichloro-4-methylpyridine;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methyl-3-phenylmethoxypropanoate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-(2,6-dichloro-4-pyridinyl)acetate
CID 158073766
2-[2-Chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methyl-3-phenylmethoxypropan-1-ol;2,6-dichloro-4-methylpyridine;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-2-methyl-3-phenylmethoxypropanoate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate;methyl 2-(2,6-dichloro-4-pyridinyl)acetate
CID 159001610
2-Chloro-4-(1-methylcyclohexyl)-6-prop-1-en-2-ylpyridine;2,6-dichloro-4-iodopyridine;bis(2,6-dichloro-4-(1-methylcyclohexyl)pyridine);[1-(2,6-dichloro-4-pyridinyl)cyclohexyl]methanol;[1-(2,6-dichloro-4-pyridinyl)cyclohexyl]methyl methanesulfonate;ethyl 1-(2,6-dichloro-4-pyridinyl)cyclohexane-1-carboxylate;2-(4-fluorophenyl)-4-(1-methylcyclohexyl)-6-prop-1-en-2-ylpyridine;2-[6-(4-fluorophenyl)-4-(1-methylcyclohexyl)-2-pyridinyl]butan-2-ol
CID 159731913
benzyl N-[2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-1-fluoropropan-2-yl]carbamate;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-fluoro-2-methylpropanoic acid;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-fluoro-2-methylpropanoate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-hydroxy-2-methylpropanoate;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propanoate
CID 160126211

Frequently Asked Questions

What is the IUPAC name of [1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutyl]methanol;[1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutyl]methyl methanesulfonate;1,3-dibromopropan-2-yloxymethylbenzene;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutane-1-carboxylate?
The IUPAC name of [1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutyl]methanol;[1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutyl]methyl methanesulfonate;1,3-dibromopropan-2-yloxymethylbenzene;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutane-1-carboxylate (CID 159412020) is [1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutyl]methanol;[1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutyl]methyl methanesulfonate;1,3-dibromopropan-2-yloxymethylbenzene;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutane-1-carboxylate.
What is the SMILES notation for [1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutyl]methanol;[1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutyl]methyl methanesulfonate;1,3-dibromopropan-2-yloxymethylbenzene;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutane-1-carboxylate?
The canonical SMILES for [1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutyl]methanol;[1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutyl]methyl methanesulfonate;1,3-dibromopropan-2-yloxymethylbenzene;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutane-1-carboxylate is BrCC(CBr)OCc1ccccc1.CC1CC(CO)(c2cc(Cl)nc(-c3ccc(F)c(Cl)c3)c2)C1.CC1CC(COS(C)(=O)=O)(c2cc(Cl)nc(-c3ccc(F)c(Cl)c3)c2)C1.COC(=O)C1(c2cc(Cl)nc(-c3ccc(F)c(Cl)c3)c2)CC(C)C1.COC(=O)Cc1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.
What is the InChIKey of [1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutyl]methanol;[1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutyl]methyl methanesulfonate;1,3-dibromopropan-2-yloxymethylbenzene;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutane-1-carboxylate?
The InChIKey is LORQQKLHOITTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2FNO3S.C18H16Cl2FNO2.C17H16Cl2FNO.C14H10Cl2FNO2.C10H12Br2O/c1-11-8-18(9-11,10-25-26(2,23)24)13-6-16(22-17(20)7-13)12-3-4-15(21)14(19)5-12;1-10-8-18(9-10,17(23)24-2)12-6-15(22-16(20)7-12)11-3-4-14(21)13(19)5-11;1-10-7-17(8-10,9-22)12-5-15(21-16(19)6-12)11-2-3-14(20)13(18)4-11;1-20-14(19)6-8-4-12(18-13(16)5-8)9-2-3-11(17)10(15)7-9;11-6-10(7-12)13-8-9-4-2-1-3-5-9/h3-7,11H,8-10H2,1-2H3;3-7,10H,8-9H2,1-2H3;2-6,10,22H,7-9H2,1H3;2-5,7H,6H2,1H3;1-5,10H,6-8H2.
What are the key properties of [1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutyl]methanol;[1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutyl]methyl methanesulfonate;1,3-dibromopropan-2-yloxymethylbenzene;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutane-1-carboxylate?
[1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutyl]methanol;[1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutyl]methyl methanesulfonate;1,3-dibromopropan-2-yloxymethylbenzene;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutane-1-carboxylate has a molecular weight of 1748.93 g/mol, XLogP of 22.00, 19 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutyl]methanol;[1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutyl]methyl methanesulfonate;1,3-dibromopropan-2-yloxymethylbenzene;methyl 2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]acetate;methyl 1-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-3-methylcyclobutane-1-carboxylate is sourced from PubChem (CID 159412020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).