benzyl 2-(3,5-dichloro-2,6-difluoro-4-pyridinyl)acetate;4-(bromomethyl)-3,5-dichloro-2,6-difluoropyridine;dibenzyl 2-(3,5-dichloro-2,6-difluoro-4-pyridinyl)propanedioate;2-(3,5-dichloro-2,6-difluoro-4-pyridinyl)acetic acid;(3,5-dichloro-2,6-difluoro-4-pyridinyl)methyl benzoate;3,5-dichloro-2,4,6-trifluoropyridine;(2,6-difluoro-4-pyridinyl)methyl benzoate

C80H45BrCl12F15N7O12 — CID 160796249

IUPACbenzyl 2-(3,5-dichloro-2,6-difluoro-4-pyridinyl)acetate;4-(bromomethyl)-3,5-dichloro-2,6-difluoropyridine;dibenzyl 2-(3,5-dichloro-2,6-difluoro-4-pyridinyl)propanedioate;2-(3,5-dichloro-2,6-difluoro-4-pyridinyl)acetic acid;(3,5-dichloro-2,6-difluoro-4-pyridinyl)methyl benzoate;3,5-dichloro-2,4,6-trifluoropyridine;(2,6-difluoro-4-pyridinyl)methyl benzoate
SMILESFc1nc(F)c(Cl)c(CBr)c1Cl.Fc1nc(F)c(Cl)c(F)c1Cl.O=C(Cc1c(Cl)c(F)nc(F)c1Cl)OCc1ccccc1.O=C(O)Cc1c(Cl)c(F)nc(F)c1Cl.O=C(OCc1c(Cl)c(F)nc(F)c1Cl)c1ccccc1.O=C(OCc1cc(F)nc(F)c1)c1ccccc1.O=C(OCc1ccccc1)C(C(=O)OCc1ccccc1)c1c(Cl)c(F)nc(F)c1Cl
InChIInChI=1S/C22H15Cl2F2NO4.C14H9Cl2F2NO2.C13H7Cl2F2NO2.C13H9F2NO2.C7H3Cl2F2NO2.C6H2BrCl2F2N.C5Cl2F3N/c23-17-15(18(24)20(26)27-19(17)25)16(21(28)30-11-13-7-3-1-4-8-13)22(29)31-12-14-9-5-2-6-10-14;15-11-9(12(16)14(18)19-13(11)17)6-10(20)21-7-8-4-2-1-3-5-8;14-9-8(10(15)12(17)18-11(9)16)6-20-13(19)7-4-2-1-3-5-7;14-11-6-9(7-12(15)16-11)8-18-13(17)10-4-2-1-3-5-10;8-4-2(1-3(13)14)5(9)7(11)12-6(4)10;7-1-2-3(8)5(10)12-6(11)4(2)9;6-1-3(8)2(7)5(10)11-4(1)9/h1-10,16H,11-12H2;1-5H,6-7H2;1-5H,6H2;1-7H,8H2;1H2,(H,13,14);1H2;
InChIKeySCMDBHKZZSAHRF-UHFFFAOYSA-N
MW2086.59 g/mol
LogP24.59
Rot. Bonds20

About benzyl 2-(3,5-dichloro-2,6-difluoro-4-pyridinyl)acetate;4-(bromomethyl)-3,5-dichloro-2,6-difluoropyridine;dibenzyl 2-(3,5-dichloro-2,6-difluoro-4-pyridinyl)propanedioate;2-(3,5-dichloro-2,6-difluoro-4-pyridinyl)acetic acid;(3,5-dichloro-2,6-difluoro-4-pyridinyl)methyl benzoate;3,5-dichloro-2,4,6-trifluoropyridine;(2,6-difluoro-4-pyridinyl)methyl benzoate

benzyl 2-(3,5-dichloro-2,6-difluoro-4-pyridinyl)acetate;4-(bromomethyl)-3,5-dichloro-2,6-difluoropyridine;dibenzyl 2-(3,5-dichloro-2,6-difluoro-4-pyridinyl)propanedioate;2-(3,5-dichloro-2,6-difluoro-4-pyridinyl)acetic acid;(3,5-dichloro-2,6-difluoro-4-pyridinyl)methyl benzoate;3,5-dichloro-2,4,6-trifluoropyridine;(2,6-difluoro-4-pyridinyl)methyl benzoate (PubChem CID 160796249) has the molecular formula C80H45BrCl12F15N7O12 and a molecular weight of 2086.59 g/mol. Its IUPAC name is benzyl 2-(3,5-dichloro-2,6-difluoro-4-pyridinyl)acetate;4-(bromomethyl)-3,5-dichloro-2,6-difluoropyridine;dibenzyl 2-(3,5-dichloro-2,6-difluoro-4-pyridinyl)propanedioate;2-(3,5-dichloro-2,6-difluoro-4-pyridinyl)acetic acid;(3,5-dichloro-2,6-difluoro-4-pyridinyl)methyl benzoate;3,5-dichloro-2,4,6-trifluoropyridine;(2,6-difluoro-4-pyridinyl)methyl benzoate.

Molecular Properties

Compound Namebenzyl 2-(3,5-dichloro-2,6-difluoro-4-pyridinyl)acetate;4-(bromomethyl)-3,5-dichloro-2,6-difluoropyridine;dibenzyl 2-(3,5-dichloro-2,6-difluoro-4-pyridinyl)propanedioate;2-(3,5-dichloro-2,6-difluoro-4-pyridinyl)acetic acid;(3,5-dichloro-2,6-difluoro-4-pyridinyl)methyl benzoate;3,5-dichloro-2,4,6-trifluoropyridine;(2,6-difluoro-4-pyridinyl)methyl benzoate
PubChem CID160796249
Molecular FormulaC80H45BrCl12F15N7O12
Molecular Weight2086.59 g/mol
Exact Mass2078.83
IUPAC Namebenzyl 2-(3,5-dichloro-2,6-difluoro-4-pyridinyl)acetate;4-(bromomethyl)-3,5-dichloro-2,6-difluoropyridine;dibenzyl 2-(3,5-dichloro-2,6-difluoro-4-pyridinyl)propanedioate;2-(3,5-dichloro-2,6-difluoro-4-pyridinyl)acetic acid;(3,5-dichloro-2,6-difluoro-4-pyridinyl)methyl benzoate;3,5-dichloro-2,4,6-trifluoropyridine;(2,6-difluoro-4-pyridinyl)methyl benzoate
SMILESFc1nc(F)c(Cl)c(CBr)c1Cl.Fc1nc(F)c(Cl)c(F)c1Cl.O=C(Cc1c(Cl)c(F)nc(F)c1Cl)OCc1ccccc1.O=C(O)Cc1c(Cl)c(F)nc(F)c1Cl.O=C(OCc1c(Cl)c(F)nc(F)c1Cl)c1ccccc1.O=C(OCc1cc(F)nc(F)c1)c1ccccc1.O=C(OCc1ccccc1)C(C(=O)OCc1ccccc1)c1c(Cl)c(F)nc(F)c1Cl
InChIInChI=1S/C22H15Cl2F2NO4.C14H9Cl2F2NO2.C13H7Cl2F2NO2.C13H9F2NO2.C7H3Cl2F2NO2.C6H2BrCl2F2N.C5Cl2F3N/c23-17-15(18(24)20(26)27-19(17)25)16(21(28)30-11-13-7-3-1-4-8-13)22(29)31-12-14-9-5-2-6-10-14;15-11-9(12(16)14(18)19-13(11)17)6-10(20)21-7-8-4-2-1-3-5-8;14-9-8(10(15)12(17)18-11(9)16)6-20-13(19)7-4-2-1-3-5-7;14-11-6-9(7-12(15)16-11)8-18-13(17)10-4-2-1-3-5-10;8-4-2(1-3(13)14)5(9)7(11)12-6(4)10;7-1-2-3(8)5(10)12-6(11)4(2)9;6-1-3(8)2(7)5(10)11-4(1)9/h1-10,16H,11-12H2;1-5H,6-7H2;1-5H,6H2;1-7H,8H2;1H2,(H,13,14);1H2;
InChIKeySCMDBHKZZSAHRF-UHFFFAOYSA-N
XLogP24.59
TPSA259.03 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds20
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002086.59
LogP ≤ 524.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze benzyl 2-(3,5-dichloro-2,6-difluoro-4-pyridinyl)acetate;4-(bromomethyl)-3,5-dichloro-2,6-difluoropyridine;dibenzyl 2-(3,5-dichloro-2,6-difluoro-4-pyridinyl)propanedioate;2-(3,5-dichloro-2,6-difluoro-4-pyridinyl)acetic acid;(3,5-dichloro-2,6-difluoro-4-pyridinyl)methyl benzoate;3,5-dichloro-2,4,6-trifluoropyridine;(2,6-difluoro-4-pyridinyl)methyl benzoate with MolForge

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Launch Full Analysis

Related Compounds

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
Benzyl 2-(3-chloro-2,5,6-trifluoro-4-pyridinyl)acetate;4-(bromomethyl)-3-chloro-2,5,6-trifluoropyridine;3-chloro-2,4,5,6-tetrafluoropyridine;2-(3-chloro-2,5,6-trifluoro-4-pyridinyl)acetic acid;(3-chloro-2,5,6-trifluoro-4-pyridinyl)methyl benzoate;dibenzyl 2-(3-chloro-2,5,6-trifluoro-4-pyridinyl)propanedioate;(2,3,6-trifluoro-4-pyridinyl)methyl benzoate
CID 161789424

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(3,5-dichloro-2,6-difluoro-4-pyridinyl)acetate;4-(bromomethyl)-3,5-dichloro-2,6-difluoropyridine;dibenzyl 2-(3,5-dichloro-2,6-difluoro-4-pyridinyl)propanedioate;2-(3,5-dichloro-2,6-difluoro-4-pyridinyl)acetic acid;(3,5-dichloro-2,6-difluoro-4-pyridinyl)methyl benzoate;3,5-dichloro-2,4,6-trifluoropyridine;(2,6-difluoro-4-pyridinyl)methyl benzoate?
The IUPAC name of benzyl 2-(3,5-dichloro-2,6-difluoro-4-pyridinyl)acetate;4-(bromomethyl)-3,5-dichloro-2,6-difluoropyridine;dibenzyl 2-(3,5-dichloro-2,6-difluoro-4-pyridinyl)propanedioate;2-(3,5-dichloro-2,6-difluoro-4-pyridinyl)acetic acid;(3,5-dichloro-2,6-difluoro-4-pyridinyl)methyl benzoate;3,5-dichloro-2,4,6-trifluoropyridine;(2,6-difluoro-4-pyridinyl)methyl benzoate (CID 160796249) is benzyl 2-(3,5-dichloro-2,6-difluoro-4-pyridinyl)acetate;4-(bromomethyl)-3,5-dichloro-2,6-difluoropyridine;dibenzyl 2-(3,5-dichloro-2,6-difluoro-4-pyridinyl)propanedioate;2-(3,5-dichloro-2,6-difluoro-4-pyridinyl)acetic acid;(3,5-dichloro-2,6-difluoro-4-pyridinyl)methyl benzoate;3,5-dichloro-2,4,6-trifluoropyridine;(2,6-difluoro-4-pyridinyl)methyl benzoate.
What is the SMILES notation for benzyl 2-(3,5-dichloro-2,6-difluoro-4-pyridinyl)acetate;4-(bromomethyl)-3,5-dichloro-2,6-difluoropyridine;dibenzyl 2-(3,5-dichloro-2,6-difluoro-4-pyridinyl)propanedioate;2-(3,5-dichloro-2,6-difluoro-4-pyridinyl)acetic acid;(3,5-dichloro-2,6-difluoro-4-pyridinyl)methyl benzoate;3,5-dichloro-2,4,6-trifluoropyridine;(2,6-difluoro-4-pyridinyl)methyl benzoate?
The canonical SMILES for benzyl 2-(3,5-dichloro-2,6-difluoro-4-pyridinyl)acetate;4-(bromomethyl)-3,5-dichloro-2,6-difluoropyridine;dibenzyl 2-(3,5-dichloro-2,6-difluoro-4-pyridinyl)propanedioate;2-(3,5-dichloro-2,6-difluoro-4-pyridinyl)acetic acid;(3,5-dichloro-2,6-difluoro-4-pyridinyl)methyl benzoate;3,5-dichloro-2,4,6-trifluoropyridine;(2,6-difluoro-4-pyridinyl)methyl benzoate is Fc1nc(F)c(Cl)c(CBr)c1Cl.Fc1nc(F)c(Cl)c(F)c1Cl.O=C(Cc1c(Cl)c(F)nc(F)c1Cl)OCc1ccccc1.O=C(O)Cc1c(Cl)c(F)nc(F)c1Cl.O=C(OCc1c(Cl)c(F)nc(F)c1Cl)c1ccccc1.O=C(OCc1cc(F)nc(F)c1)c1ccccc1.O=C(OCc1ccccc1)C(C(=O)OCc1ccccc1)c1c(Cl)c(F)nc(F)c1Cl.
What is the InChIKey of benzyl 2-(3,5-dichloro-2,6-difluoro-4-pyridinyl)acetate;4-(bromomethyl)-3,5-dichloro-2,6-difluoropyridine;dibenzyl 2-(3,5-dichloro-2,6-difluoro-4-pyridinyl)propanedioate;2-(3,5-dichloro-2,6-difluoro-4-pyridinyl)acetic acid;(3,5-dichloro-2,6-difluoro-4-pyridinyl)methyl benzoate;3,5-dichloro-2,4,6-trifluoropyridine;(2,6-difluoro-4-pyridinyl)methyl benzoate?
The InChIKey is SCMDBHKZZSAHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2F2NO4.C14H9Cl2F2NO2.C13H7Cl2F2NO2.C13H9F2NO2.C7H3Cl2F2NO2.C6H2BrCl2F2N.C5Cl2F3N/c23-17-15(18(24)20(26)27-19(17)25)16(21(28)30-11-13-7-3-1-4-8-13)22(29)31-12-14-9-5-2-6-10-14;15-11-9(12(16)14(18)19-13(11)17)6-10(20)21-7-8-4-2-1-3-5-8;14-9-8(10(15)12(17)18-11(9)16)6-20-13(19)7-4-2-1-3-5-7;14-11-6-9(7-12(15)16-11)8-18-13(17)10-4-2-1-3-5-10;8-4-2(1-3(13)14)5(9)7(11)12-6(4)10;7-1-2-3(8)5(10)12-6(11)4(2)9;6-1-3(8)2(7)5(10)11-4(1)9/h1-10,16H,11-12H2;1-5H,6-7H2;1-5H,6H2;1-7H,8H2;1H2,(H,13,14);1H2;.
What are the key properties of benzyl 2-(3,5-dichloro-2,6-difluoro-4-pyridinyl)acetate;4-(bromomethyl)-3,5-dichloro-2,6-difluoropyridine;dibenzyl 2-(3,5-dichloro-2,6-difluoro-4-pyridinyl)propanedioate;2-(3,5-dichloro-2,6-difluoro-4-pyridinyl)acetic acid;(3,5-dichloro-2,6-difluoro-4-pyridinyl)methyl benzoate;3,5-dichloro-2,4,6-trifluoropyridine;(2,6-difluoro-4-pyridinyl)methyl benzoate?
benzyl 2-(3,5-dichloro-2,6-difluoro-4-pyridinyl)acetate;4-(bromomethyl)-3,5-dichloro-2,6-difluoropyridine;dibenzyl 2-(3,5-dichloro-2,6-difluoro-4-pyridinyl)propanedioate;2-(3,5-dichloro-2,6-difluoro-4-pyridinyl)acetic acid;(3,5-dichloro-2,6-difluoro-4-pyridinyl)methyl benzoate;3,5-dichloro-2,4,6-trifluoropyridine;(2,6-difluoro-4-pyridinyl)methyl benzoate has a molecular weight of 2086.59 g/mol, XLogP of 24.59, 20 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(3,5-dichloro-2,6-difluoro-4-pyridinyl)acetate;4-(bromomethyl)-3,5-dichloro-2,6-difluoropyridine;dibenzyl 2-(3,5-dichloro-2,6-difluoro-4-pyridinyl)propanedioate;2-(3,5-dichloro-2,6-difluoro-4-pyridinyl)acetic acid;(3,5-dichloro-2,6-difluoro-4-pyridinyl)methyl benzoate;3,5-dichloro-2,4,6-trifluoropyridine;(2,6-difluoro-4-pyridinyl)methyl benzoate is sourced from PubChem (CID 160796249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).