tert-butyl N-[2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-ethenyl-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-formyl-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-pyridinyl]propan-2-yl]carbamate;2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carbonitrile;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-amine;2,6-dichloropyridine-4-carbonitrile

C113H113Cl11F6N14O10 — CID 167586201

IUPACtert-butyl N-[2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-ethenyl-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-formyl-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-pyridinyl]propan-2-yl]carbamate;2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carbonitrile;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-amine;2,6-dichloropyridine-4-carbonitrile
SMILESC=Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)cc(-c2ccc(F)c(Cl)c2)n1.CC(C)(C)OC(=O)NC(C)(C)c1cc(C=O)nc(-c2ccc(F)c(Cl)c2)c1.CC(C)(C)OC(=O)NC(C)(C)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.CC(C)(N)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.CC(O)c1cc(C(C)(C)NC(=O)OC(C)(C)C)cc(-c2ccc(F)c(Cl)c2)n1.N#Cc1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.N#Cc1cc(Cl)nc(Cl)c1
InChIInChI=1S/C21H26ClFN2O3.C21H24ClFN2O2.C20H22ClFN2O3.C19H21Cl2FN2O2.C14H13Cl2FN2.C12H5Cl2FN2.C6H2Cl2N2/c1-12(26)17-10-14(21(5,6)25-19(27)28-20(2,3)4)11-18(24-17)13-7-8-16(23)15(22)9-13;1-7-15-11-14(21(5,6)25-19(26)27-20(2,3)4)12-18(24-15)13-8-9-17(23)16(22)10-13;1-19(2,3)27-18(26)24-20(4,5)13-9-14(11-25)23-17(10-13)12-6-7-16(22)15(21)8-12;1-18(2,3)26-17(25)24-19(4,5)12-9-15(23-16(21)10-12)11-6-7-14(22)13(20)8-11;1-14(2,18)9-6-12(19-13(16)7-9)8-3-4-11(17)10(15)5-8;13-9-5-8(1-2-10(9)15)11-3-7(6-16)4-12(14)17-11;7-5-1-4(3-9)2-6(8)10-5/h7-12,26H,1-6H3,(H,25,27);7-12H,1H2,2-6H3,(H,25,26);6-11H,1-5H3,(H,24,26);6-10H,1-5H3,(H,24,25);3-7H,18H2,1-2H3;1-5H;1-2H
InChIKeyHVKBKSSCVUGDJL-UHFFFAOYSA-N
MW2331.21 g/mol
LogP33.08
Rot. Bonds18

About tert-butyl N-[2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-ethenyl-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-formyl-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-pyridinyl]propan-2-yl]carbamate;2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carbonitrile;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-amine;2,6-dichloropyridine-4-carbonitrile

tert-butyl N-[2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-ethenyl-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-formyl-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-pyridinyl]propan-2-yl]carbamate;2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carbonitrile;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-amine;2,6-dichloropyridine-4-carbonitrile (PubChem CID 167586201) has the molecular formula C113H113Cl11F6N14O10 and a molecular weight of 2331.21 g/mol. Its IUPAC name is tert-butyl N-[2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-ethenyl-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-formyl-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-pyridinyl]propan-2-yl]carbamate;2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carbonitrile;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-amine;2,6-dichloropyridine-4-carbonitrile.

Molecular Properties

Compound Nametert-butyl N-[2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-ethenyl-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-formyl-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-pyridinyl]propan-2-yl]carbamate;2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carbonitrile;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-amine;2,6-dichloropyridine-4-carbonitrile
PubChem CID167586201
Molecular FormulaC113H113Cl11F6N14O10
Molecular Weight2331.21 g/mol
Exact Mass2324.52
IUPAC Nametert-butyl N-[2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-ethenyl-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-formyl-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-pyridinyl]propan-2-yl]carbamate;2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carbonitrile;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-amine;2,6-dichloropyridine-4-carbonitrile
SMILESC=Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)cc(-c2ccc(F)c(Cl)c2)n1.CC(C)(C)OC(=O)NC(C)(C)c1cc(C=O)nc(-c2ccc(F)c(Cl)c2)c1.CC(C)(C)OC(=O)NC(C)(C)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.CC(C)(N)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.CC(O)c1cc(C(C)(C)NC(=O)OC(C)(C)C)cc(-c2ccc(F)c(Cl)c2)n1.N#Cc1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.N#Cc1cc(Cl)nc(Cl)c1
InChIInChI=1S/C21H26ClFN2O3.C21H24ClFN2O2.C20H22ClFN2O3.C19H21Cl2FN2O2.C14H13Cl2FN2.C12H5Cl2FN2.C6H2Cl2N2/c1-12(26)17-10-14(21(5,6)25-19(27)28-20(2,3)4)11-18(24-17)13-7-8-16(23)15(22)9-13;1-7-15-11-14(21(5,6)25-19(26)27-20(2,3)4)12-18(24-15)13-8-9-17(23)16(22)10-13;1-19(2,3)27-18(26)24-20(4,5)13-9-14(11-25)23-17(10-13)12-6-7-16(22)15(21)8-12;1-18(2,3)26-17(25)24-19(4,5)12-9-15(23-16(21)10-12)11-6-7-14(22)13(20)8-11;1-14(2,18)9-6-12(19-13(16)7-9)8-3-4-11(17)10(15)5-8;13-9-5-8(1-2-10(9)15)11-3-7(6-16)4-12(14)17-11;7-5-1-4(3-9)2-6(8)10-5/h7-12,26H,1-6H3,(H,25,27);7-12H,1H2,2-6H3,(H,25,26);6-11H,1-5H3,(H,24,26);6-10H,1-5H3,(H,24,25);3-7H,18H2,1-2H3;1-5H;1-2H
InChIKeyHVKBKSSCVUGDJL-UHFFFAOYSA-N
XLogP33.08
TPSA354.45 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds18
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002331.21
LogP ≤ 533.08
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze tert-butyl N-[2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-ethenyl-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-formyl-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-pyridinyl]propan-2-yl]carbamate;2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carbonitrile;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-amine;2,6-dichloropyridine-4-carbonitrile with MolForge

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Related Compounds

tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-[1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]propan-2-yl]-4-pyridinyl]propan-2-yl]carbamate
CID 144796021
tert-butyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate;ethane
CID 144796070
2,6-dichloropyridine-4-carboxylic acid;methane;methyl 2-acetyl-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-ethenylpyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-formylpyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)pyridine-4-carboxylate;methyl 2-(3-chloro-4-fluorophenyl)-6-(2-hydroxy-1-nitropropan-2-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate
CID 161487187
tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-[2-hydroxy-5-[4-(2-hydroxypropoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate
CID 161485029
4-[4-(2-aminopropan-2-yl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-4-cyclopropyl-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxybutan-1-one;tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-[1-cyclopropyl-4-(4-cyclopropyloxy-3-methoxyphenyl)-1-hydroxy-4-oxobutyl]-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-[4-(4-cyclopropyloxy-3-methoxyphenyl)-4-oxobutanoyl]-4-pyridinyl]propan-2-yl]carbamate
CID 159715533
N-[2-[4-(2-aminopropan-2-yl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoropropyl]-4-[(2R)-2-hydroxypropoxy]-3-methoxybenzamide
CID 139444089
N-[2-[4-(2-aminopropan-2-yl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoropropyl]-1,3-benzodioxole-5-carboxamide
CID 134322933
tert-butyl N-[2-[6-(3-chloro-4-fluorophenyl)-4-[2-(propan-2-ylamino)propan-2-yl]-2-pyridinyl]-2-hydroxypropyl]carbamate;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-amine;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-N-propan-2-ylpropan-2-amine;2-[4-[4-[6-(3-chloro-4-fluorophenyl)-4-[2-(propan-2-ylamino)propan-2-yl]-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetic acid;2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]-N-propan-2-ylpropan-2-amine
CID 162157958
tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-[5-(4-ethoxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-[5-(4-ethoxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate
CID 161311680
N-[2-[6-(3-chloro-4-fluorophenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-3,3,3-trifluoropropyl]-8-methoxyquinoline-6-carboxamide
CID 139444453
tert-butyl N-[(1S)-2-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]-1-hydroxypropyl]carbamate
CID 152815387
4-(2-amino-2-oxoethoxy)-3-methoxybenzoic acid;2-[4-[4-[4-(2-aminopropan-2-yl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-[4-[(4S)-4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-[4-[(4R)-4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;tert-butyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate;2-[4-[4-[6-(3-chloro-4-fluorophenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;dihydrochloride
CID 159551436

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-ethenyl-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-formyl-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-pyridinyl]propan-2-yl]carbamate;2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carbonitrile;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-amine;2,6-dichloropyridine-4-carbonitrile?
The IUPAC name of tert-butyl N-[2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-ethenyl-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-formyl-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-pyridinyl]propan-2-yl]carbamate;2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carbonitrile;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-amine;2,6-dichloropyridine-4-carbonitrile (CID 167586201) is tert-butyl N-[2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-ethenyl-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-formyl-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-pyridinyl]propan-2-yl]carbamate;2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carbonitrile;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-amine;2,6-dichloropyridine-4-carbonitrile.
What is the SMILES notation for tert-butyl N-[2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-ethenyl-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-formyl-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-pyridinyl]propan-2-yl]carbamate;2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carbonitrile;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-amine;2,6-dichloropyridine-4-carbonitrile?
The canonical SMILES for tert-butyl N-[2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-ethenyl-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-formyl-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-pyridinyl]propan-2-yl]carbamate;2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carbonitrile;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-amine;2,6-dichloropyridine-4-carbonitrile is C=Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)cc(-c2ccc(F)c(Cl)c2)n1.CC(C)(C)OC(=O)NC(C)(C)c1cc(C=O)nc(-c2ccc(F)c(Cl)c2)c1.CC(C)(C)OC(=O)NC(C)(C)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.CC(C)(N)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.CC(O)c1cc(C(C)(C)NC(=O)OC(C)(C)C)cc(-c2ccc(F)c(Cl)c2)n1.N#Cc1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.N#Cc1cc(Cl)nc(Cl)c1.
What is the InChIKey of tert-butyl N-[2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-ethenyl-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-formyl-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-pyridinyl]propan-2-yl]carbamate;2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carbonitrile;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-amine;2,6-dichloropyridine-4-carbonitrile?
The InChIKey is HVKBKSSCVUGDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClFN2O3.C21H24ClFN2O2.C20H22ClFN2O3.C19H21Cl2FN2O2.C14H13Cl2FN2.C12H5Cl2FN2.C6H2Cl2N2/c1-12(26)17-10-14(21(5,6)25-19(27)28-20(2,3)4)11-18(24-17)13-7-8-16(23)15(22)9-13;1-7-15-11-14(21(5,6)25-19(26)27-20(2,3)4)12-18(24-15)13-8-9-17(23)16(22)10-13;1-19(2,3)27-18(26)24-20(4,5)13-9-14(11-25)23-17(10-13)12-6-7-16(22)15(21)8-12;1-18(2,3)26-17(25)24-19(4,5)12-9-15(23-16(21)10-12)11-6-7-14(22)13(20)8-11;1-14(2,18)9-6-12(19-13(16)7-9)8-3-4-11(17)10(15)5-8;13-9-5-8(1-2-10(9)15)11-3-7(6-16)4-12(14)17-11;7-5-1-4(3-9)2-6(8)10-5/h7-12,26H,1-6H3,(H,25,27);7-12H,1H2,2-6H3,(H,25,26);6-11H,1-5H3,(H,24,26);6-10H,1-5H3,(H,24,25);3-7H,18H2,1-2H3;1-5H;1-2H.
What are the key properties of tert-butyl N-[2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-ethenyl-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-formyl-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-pyridinyl]propan-2-yl]carbamate;2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carbonitrile;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-amine;2,6-dichloropyridine-4-carbonitrile?
tert-butyl N-[2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-ethenyl-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-formyl-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-pyridinyl]propan-2-yl]carbamate;2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carbonitrile;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-amine;2,6-dichloropyridine-4-carbonitrile has a molecular weight of 2331.21 g/mol, XLogP of 33.08, 18 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-ethenyl-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-formyl-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-(1-hydroxyethyl)-4-pyridinyl]propan-2-yl]carbamate;2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carbonitrile;2-[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-amine;2,6-dichloropyridine-4-carbonitrile is sourced from PubChem (CID 167586201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).