3-bromo-2-methoxy-5-propan-2-ylpyridine;2-(3-chloro-5-propan-2-yl-2-pyridinyl)-5-methyl-1,3-oxazole;3-(difluoromethyl)-5-propan-2-yl-2-pyrazol-1-ylpyridine;3-(difluoromethyl)-5-propan-2-yl-2-(triazol-2-yl)pyridine;3-methoxy-5-propan-2-yl-2-pyrazol-1-ylpyridine;2-methoxy-5-propan-2-ylpyridine-3-carbonitrile;3-methoxy-5-propan-2-yl-2-(triazol-2-yl)pyridine;5-propan-2-yl-2-(triazol-2-yl)pyridine-3-carbonitrile

C88H102BrClF4N24O5 — CID 158150837

IUPAC3-bromo-2-methoxy-5-propan-2-ylpyridine;2-(3-chloro-5-propan-2-yl-2-pyridinyl)-5-methyl-1,3-oxazole;3-(difluoromethyl)-5-propan-2-yl-2-pyrazol-1-ylpyridine;3-(difluoromethyl)-5-propan-2-yl-2-(triazol-2-yl)pyridine;3-methoxy-5-propan-2-yl-2-pyrazol-1-ylpyridine;2-methoxy-5-propan-2-ylpyridine-3-carbonitrile;3-methoxy-5-propan-2-yl-2-(triazol-2-yl)pyridine;5-propan-2-yl-2-(triazol-2-yl)pyridine-3-carbonitrile
SMILESCC(C)c1cnc(-n2cccn2)c(C(F)F)c1.CC(C)c1cnc(-n2nccn2)c(C#N)c1.CC(C)c1cnc(-n2nccn2)c(C(F)F)c1.COc1cc(C(C)C)cnc1-n1cccn1.COc1cc(C(C)C)cnc1-n1nccn1.COc1ncc(C(C)C)cc1Br.COc1ncc(C(C)C)cc1C#N.Cc1cnc(-c2ncc(C(C)C)cc2Cl)o1
InChIInChI=1S/C12H13ClN2O.C12H13F2N3.C12H15N3O.C11H12F2N4.C11H11N5.C11H14N4O.C10H12N2O.C9H12BrNO/c1-7(2)9-4-10(13)11(14-6-9)12-15-5-8(3)16-12;1-8(2)9-6-10(11(13)14)12(15-7-9)17-5-3-4-16-17;1-9(2)10-7-11(16-3)12(13-8-10)15-6-4-5-14-15;1-7(2)8-5-9(10(12)13)11(14-6-8)17-15-3-4-16-17;1-8(2)10-5-9(6-12)11(13-7-10)16-14-3-4-15-16;1-8(2)9-6-10(16-3)11(12-7-9)15-13-4-5-14-15;1-7(2)9-4-8(5-11)10(13-3)12-6-9;1-6(2)7-4-8(10)9(12-3)11-5-7/h4-7H,1-3H3;3-8,11H,1-2H3;4-9H,1-3H3;3-7,10H,1-2H3;3-5,7-8H,1-2H3;4-8H,1-3H3;4,6-7H,1-3H3;4-6H,1-3H3
InChIKeyFVBYYRYYAUVAPD-UHFFFAOYSA-N
MW1767.30 g/mol
LogP20.79
Rot. Bonds20

About 3-bromo-2-methoxy-5-propan-2-ylpyridine;2-(3-chloro-5-propan-2-yl-2-pyridinyl)-5-methyl-1,3-oxazole;3-(difluoromethyl)-5-propan-2-yl-2-pyrazol-1-ylpyridine;3-(difluoromethyl)-5-propan-2-yl-2-(triazol-2-yl)pyridine;3-methoxy-5-propan-2-yl-2-pyrazol-1-ylpyridine;2-methoxy-5-propan-2-ylpyridine-3-carbonitrile;3-methoxy-5-propan-2-yl-2-(triazol-2-yl)pyridine;5-propan-2-yl-2-(triazol-2-yl)pyridine-3-carbonitrile

3-bromo-2-methoxy-5-propan-2-ylpyridine;2-(3-chloro-5-propan-2-yl-2-pyridinyl)-5-methyl-1,3-oxazole;3-(difluoromethyl)-5-propan-2-yl-2-pyrazol-1-ylpyridine;3-(difluoromethyl)-5-propan-2-yl-2-(triazol-2-yl)pyridine;3-methoxy-5-propan-2-yl-2-pyrazol-1-ylpyridine;2-methoxy-5-propan-2-ylpyridine-3-carbonitrile;3-methoxy-5-propan-2-yl-2-(triazol-2-yl)pyridine;5-propan-2-yl-2-(triazol-2-yl)pyridine-3-carbonitrile (PubChem CID 158150837) has the molecular formula C88H102BrClF4N24O5 and a molecular weight of 1767.30 g/mol. Its IUPAC name is 3-bromo-2-methoxy-5-propan-2-ylpyridine;2-(3-chloro-5-propan-2-yl-2-pyridinyl)-5-methyl-1,3-oxazole;3-(difluoromethyl)-5-propan-2-yl-2-pyrazol-1-ylpyridine;3-(difluoromethyl)-5-propan-2-yl-2-(triazol-2-yl)pyridine;3-methoxy-5-propan-2-yl-2-pyrazol-1-ylpyridine;2-methoxy-5-propan-2-ylpyridine-3-carbonitrile;3-methoxy-5-propan-2-yl-2-(triazol-2-yl)pyridine;5-propan-2-yl-2-(triazol-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name3-bromo-2-methoxy-5-propan-2-ylpyridine;2-(3-chloro-5-propan-2-yl-2-pyridinyl)-5-methyl-1,3-oxazole;3-(difluoromethyl)-5-propan-2-yl-2-pyrazol-1-ylpyridine;3-(difluoromethyl)-5-propan-2-yl-2-(triazol-2-yl)pyridine;3-methoxy-5-propan-2-yl-2-pyrazol-1-ylpyridine;2-methoxy-5-propan-2-ylpyridine-3-carbonitrile;3-methoxy-5-propan-2-yl-2-(triazol-2-yl)pyridine;5-propan-2-yl-2-(triazol-2-yl)pyridine-3-carbonitrile
PubChem CID158150837
Molecular FormulaC88H102BrClF4N24O5
Molecular Weight1767.30 g/mol
Exact Mass1764.73
IUPAC Name3-bromo-2-methoxy-5-propan-2-ylpyridine;2-(3-chloro-5-propan-2-yl-2-pyridinyl)-5-methyl-1,3-oxazole;3-(difluoromethyl)-5-propan-2-yl-2-pyrazol-1-ylpyridine;3-(difluoromethyl)-5-propan-2-yl-2-(triazol-2-yl)pyridine;3-methoxy-5-propan-2-yl-2-pyrazol-1-ylpyridine;2-methoxy-5-propan-2-ylpyridine-3-carbonitrile;3-methoxy-5-propan-2-yl-2-(triazol-2-yl)pyridine;5-propan-2-yl-2-(triazol-2-yl)pyridine-3-carbonitrile
SMILESCC(C)c1cnc(-n2cccn2)c(C(F)F)c1.CC(C)c1cnc(-n2nccn2)c(C#N)c1.CC(C)c1cnc(-n2nccn2)c(C(F)F)c1.COc1cc(C(C)C)cnc1-n1cccn1.COc1cc(C(C)C)cnc1-n1nccn1.COc1ncc(C(C)C)cc1Br.COc1ncc(C(C)C)cc1C#N.Cc1cnc(-c2ncc(C(C)C)cc2Cl)o1
InChIInChI=1S/C12H13ClN2O.C12H13F2N3.C12H15N3O.C11H12F2N4.C11H11N5.C11H14N4O.C10H12N2O.C9H12BrNO/c1-7(2)9-4-10(13)11(14-6-9)12-15-5-8(3)16-12;1-8(2)9-6-10(11(13)14)12(15-7-9)17-5-3-4-16-17;1-9(2)10-7-11(16-3)12(13-8-10)15-6-4-5-14-15;1-7(2)8-5-9(10(12)13)11(14-6-8)17-15-3-4-16-17;1-8(2)10-5-9(6-12)11(13-7-10)16-14-3-4-15-16;1-8(2)9-6-10(16-3)11(12-7-9)15-13-4-5-14-15;1-7(2)9-4-8(5-11)10(13-3)12-6-9;1-6(2)7-4-8(10)9(12-3)11-5-7/h4-7H,1-3H3;3-8,11H,1-2H3;4-9H,1-3H3;3-7,10H,1-2H3;3-5,7-8H,1-2H3;4-8H,1-3H3;4,6-7H,1-3H3;4-6H,1-3H3
InChIKeyFVBYYRYYAUVAPD-UHFFFAOYSA-N
XLogP20.79
TPSA341.42 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds20
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001767.30
LogP ≤ 520.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze 3-bromo-2-methoxy-5-propan-2-ylpyridine;2-(3-chloro-5-propan-2-yl-2-pyridinyl)-5-methyl-1,3-oxazole;3-(difluoromethyl)-5-propan-2-yl-2-pyrazol-1-ylpyridine;3-(difluoromethyl)-5-propan-2-yl-2-(triazol-2-yl)pyridine;3-methoxy-5-propan-2-yl-2-pyrazol-1-ylpyridine;2-methoxy-5-propan-2-ylpyridine-3-carbonitrile;3-methoxy-5-propan-2-yl-2-(triazol-2-yl)pyridine;5-propan-2-yl-2-(triazol-2-yl)pyridine-3-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

5-Bromo-2-chloro-4-propan-2-ylpyridine;2-tert-butyl-1-methylimidazole;2-tert-butylpyridine;3-tert-butylpyridine;2-chloro-4-propan-2-ylpyridine;methane;2-methyl-3-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-3-propan-2-ylpyridine;2-nitro-3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyridine-3-carbonitrile;4-propan-2-yl-3-(trifluoromethyl)pyridine
CID 158437216
3-bromo-2-methoxy-5-propan-2-ylpyridine;3-chloro-2-(2-methylpyrazol-3-yl)-5-propan-2-ylpyridine;bis(3-chloro-5-propan-2-yl-2-pyrazol-1-ylpyridine);2-(3-chloro-5-propan-2-yl-2-pyridinyl)-5-methyl-1,3-oxazole;3-chloro-5-propan-2-yl-2-(2H-pyrrol-4-yl)pyridine;3-chloro-5-propan-2-yl-2-(triazol-2-yl)pyridine;3-(difluoromethyl)-5-propan-2-yl-2-pyrazol-1-ylpyridine;3-(difluoromethyl)-5-propan-2-yl-2-(triazol-2-yl)pyridine;N-(1-methoxypropan-2-yl)-N-methyl-5-propan-2-yl-3-(trifluoromethyl)pyridin-2-amine;3-methoxy-5-propan-2-yl-2-pyrazol-1-ylpyridine;2-methoxy-5-propan-2-ylpyridine-3-carbonitrile;3-methoxy-5-propan-2-yl-2-(triazol-2-yl)pyridine;2-(2-methylbutoxy)-5-propan-2-yl-3-(trifluoromethyl)pyridine;5-propan-2-yl-2-(triazol-2-yl)pyridine-3-carbonitrile
CID 159209938
5-Chloro-3-methyl-2-(triazol-2-yl)pyridine;2,5-dimethyl-3-(1-methylpyrazol-3-yl)pyridine;3,5-dimethyl-2-(1-methylpyrazol-3-yl)pyridine;3,6-dimethyl-2-(1-methylpyrazol-3-yl)pyridine;2,5-dimethyl-4-phenylpyrimidine;2-(2,6-dimethyl-3-pyridinyl)pyrimidine;2,6-dimethyl-3-(triazol-2-yl)pyridine;3,6-dimethyl-2-(triazol-2-yl)pyridine;2-(5-fluoro-3-methyl-2-pyridinyl)-5-methyl-1,3,4-oxadiazole;2-(5-fluoro-3-methyl-2-pyridinyl)pyrimidine;5-fluoro-3-methyl-2-(triazol-2-yl)pyridine;5-methoxy-3-methyl-2-(triazol-2-yl)pyridine;2-methyl-3-phenylpyridine;2-methyl-3-(triazol-2-yl)pyridine;3-methyl-2-(triazol-2-yl)pyridine;3-methyl-4-(triazol-2-yl)pyridine
CID 158548807
3-Bromo-2-methoxy-5-propan-2-ylpyridine;3-chloro-2-[2-(1-methylpiperidin-4-yl)ethoxy]-5-propan-2-ylpyridine;3-chloro-2-(2-methylpyrazol-3-yl)-5-propan-2-ylpyridine;3-chloro-5-propan-2-yl-2-pyrazol-1-ylpyridine;2-(3-chloro-5-propan-2-yl-2-pyridinyl)-5-methyl-1,3-oxazole;4-(3-chloro-5-propan-2-yl-2-pyridinyl)-1,2-oxazole;3-chloro-5-propan-2-yl-2-(triazol-1-yl)pyridine;3-chloro-5-propan-2-yl-2-(triazol-2-yl)pyridine;3-(difluoromethyl)-5-propan-2-yl-2-pyrazol-1-ylpyridine;3-(difluoromethyl)-5-propan-2-yl-2-(triazol-2-yl)pyridine;methane;3-methoxy-5-propan-2-yl-2-pyrazol-1-ylpyridine;2-methoxy-5-propan-2-ylpyridine-3-carbonitrile;3-methoxy-5-propan-2-yl-2-(triazol-2-yl)pyridine;5-propan-2-yl-2-(triazol-2-yl)pyridine-3-carbonitrile
CID 160621240
5-Chloro-3-methyl-2-(triazol-2-yl)pyridine;2,5-dimethyl-4-phenylpyrimidine;2-(2,6-dimethyl-3-pyridinyl)pyrimidine;2,6-dimethyl-3-(triazol-2-yl)pyridine;2-(5-fluoro-3-methyl-2-pyridinyl)-5-methyl-1,3,4-oxadiazole;2-(5-fluoro-3-methyl-2-pyridinyl)pyrimidine;5-fluoro-3-methyl-2-(triazol-2-yl)pyridine;methane;5-methoxy-3-methyl-2-(triazol-2-yl)pyridine;2-methyl-3-phenylpyridine;2-methyl-3-(triazol-2-yl)pyridine;3-methyl-4-(triazol-2-yl)pyridine
CID 161039062
N-[(3aR,6aS)-2-(5-bromo-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide;N-[(3aR,6aS)-2-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;methane
CID 165021483
4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;N-[[(1S,5R)-3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-chloropyridine-2-carboxamide;3-chloro-N-[[(1R,5S)-3-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pyridine-2-carboxamide;6-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;methane
CID 165081547

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methoxy-5-propan-2-ylpyridine;2-(3-chloro-5-propan-2-yl-2-pyridinyl)-5-methyl-1,3-oxazole;3-(difluoromethyl)-5-propan-2-yl-2-pyrazol-1-ylpyridine;3-(difluoromethyl)-5-propan-2-yl-2-(triazol-2-yl)pyridine;3-methoxy-5-propan-2-yl-2-pyrazol-1-ylpyridine;2-methoxy-5-propan-2-ylpyridine-3-carbonitrile;3-methoxy-5-propan-2-yl-2-(triazol-2-yl)pyridine;5-propan-2-yl-2-(triazol-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 3-bromo-2-methoxy-5-propan-2-ylpyridine;2-(3-chloro-5-propan-2-yl-2-pyridinyl)-5-methyl-1,3-oxazole;3-(difluoromethyl)-5-propan-2-yl-2-pyrazol-1-ylpyridine;3-(difluoromethyl)-5-propan-2-yl-2-(triazol-2-yl)pyridine;3-methoxy-5-propan-2-yl-2-pyrazol-1-ylpyridine;2-methoxy-5-propan-2-ylpyridine-3-carbonitrile;3-methoxy-5-propan-2-yl-2-(triazol-2-yl)pyridine;5-propan-2-yl-2-(triazol-2-yl)pyridine-3-carbonitrile (CID 158150837) is 3-bromo-2-methoxy-5-propan-2-ylpyridine;2-(3-chloro-5-propan-2-yl-2-pyridinyl)-5-methyl-1,3-oxazole;3-(difluoromethyl)-5-propan-2-yl-2-pyrazol-1-ylpyridine;3-(difluoromethyl)-5-propan-2-yl-2-(triazol-2-yl)pyridine;3-methoxy-5-propan-2-yl-2-pyrazol-1-ylpyridine;2-methoxy-5-propan-2-ylpyridine-3-carbonitrile;3-methoxy-5-propan-2-yl-2-(triazol-2-yl)pyridine;5-propan-2-yl-2-(triazol-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 3-bromo-2-methoxy-5-propan-2-ylpyridine;2-(3-chloro-5-propan-2-yl-2-pyridinyl)-5-methyl-1,3-oxazole;3-(difluoromethyl)-5-propan-2-yl-2-pyrazol-1-ylpyridine;3-(difluoromethyl)-5-propan-2-yl-2-(triazol-2-yl)pyridine;3-methoxy-5-propan-2-yl-2-pyrazol-1-ylpyridine;2-methoxy-5-propan-2-ylpyridine-3-carbonitrile;3-methoxy-5-propan-2-yl-2-(triazol-2-yl)pyridine;5-propan-2-yl-2-(triazol-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 3-bromo-2-methoxy-5-propan-2-ylpyridine;2-(3-chloro-5-propan-2-yl-2-pyridinyl)-5-methyl-1,3-oxazole;3-(difluoromethyl)-5-propan-2-yl-2-pyrazol-1-ylpyridine;3-(difluoromethyl)-5-propan-2-yl-2-(triazol-2-yl)pyridine;3-methoxy-5-propan-2-yl-2-pyrazol-1-ylpyridine;2-methoxy-5-propan-2-ylpyridine-3-carbonitrile;3-methoxy-5-propan-2-yl-2-(triazol-2-yl)pyridine;5-propan-2-yl-2-(triazol-2-yl)pyridine-3-carbonitrile is CC(C)c1cnc(-n2cccn2)c(C(F)F)c1.CC(C)c1cnc(-n2nccn2)c(C#N)c1.CC(C)c1cnc(-n2nccn2)c(C(F)F)c1.COc1cc(C(C)C)cnc1-n1cccn1.COc1cc(C(C)C)cnc1-n1nccn1.COc1ncc(C(C)C)cc1Br.COc1ncc(C(C)C)cc1C#N.Cc1cnc(-c2ncc(C(C)C)cc2Cl)o1.
What is the InChIKey of 3-bromo-2-methoxy-5-propan-2-ylpyridine;2-(3-chloro-5-propan-2-yl-2-pyridinyl)-5-methyl-1,3-oxazole;3-(difluoromethyl)-5-propan-2-yl-2-pyrazol-1-ylpyridine;3-(difluoromethyl)-5-propan-2-yl-2-(triazol-2-yl)pyridine;3-methoxy-5-propan-2-yl-2-pyrazol-1-ylpyridine;2-methoxy-5-propan-2-ylpyridine-3-carbonitrile;3-methoxy-5-propan-2-yl-2-(triazol-2-yl)pyridine;5-propan-2-yl-2-(triazol-2-yl)pyridine-3-carbonitrile?
The InChIKey is FVBYYRYYAUVAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O.C12H13F2N3.C12H15N3O.C11H12F2N4.C11H11N5.C11H14N4O.C10H12N2O.C9H12BrNO/c1-7(2)9-4-10(13)11(14-6-9)12-15-5-8(3)16-12;1-8(2)9-6-10(11(13)14)12(15-7-9)17-5-3-4-16-17;1-9(2)10-7-11(16-3)12(13-8-10)15-6-4-5-14-15;1-7(2)8-5-9(10(12)13)11(14-6-8)17-15-3-4-16-17;1-8(2)10-5-9(6-12)11(13-7-10)16-14-3-4-15-16;1-8(2)9-6-10(16-3)11(12-7-9)15-13-4-5-14-15;1-7(2)9-4-8(5-11)10(13-3)12-6-9;1-6(2)7-4-8(10)9(12-3)11-5-7/h4-7H,1-3H3;3-8,11H,1-2H3;4-9H,1-3H3;3-7,10H,1-2H3;3-5,7-8H,1-2H3;4-8H,1-3H3;4,6-7H,1-3H3;4-6H,1-3H3.
What are the key properties of 3-bromo-2-methoxy-5-propan-2-ylpyridine;2-(3-chloro-5-propan-2-yl-2-pyridinyl)-5-methyl-1,3-oxazole;3-(difluoromethyl)-5-propan-2-yl-2-pyrazol-1-ylpyridine;3-(difluoromethyl)-5-propan-2-yl-2-(triazol-2-yl)pyridine;3-methoxy-5-propan-2-yl-2-pyrazol-1-ylpyridine;2-methoxy-5-propan-2-ylpyridine-3-carbonitrile;3-methoxy-5-propan-2-yl-2-(triazol-2-yl)pyridine;5-propan-2-yl-2-(triazol-2-yl)pyridine-3-carbonitrile?
3-bromo-2-methoxy-5-propan-2-ylpyridine;2-(3-chloro-5-propan-2-yl-2-pyridinyl)-5-methyl-1,3-oxazole;3-(difluoromethyl)-5-propan-2-yl-2-pyrazol-1-ylpyridine;3-(difluoromethyl)-5-propan-2-yl-2-(triazol-2-yl)pyridine;3-methoxy-5-propan-2-yl-2-pyrazol-1-ylpyridine;2-methoxy-5-propan-2-ylpyridine-3-carbonitrile;3-methoxy-5-propan-2-yl-2-(triazol-2-yl)pyridine;5-propan-2-yl-2-(triazol-2-yl)pyridine-3-carbonitrile has a molecular weight of 1767.30 g/mol, XLogP of 20.79, 20 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methoxy-5-propan-2-ylpyridine;2-(3-chloro-5-propan-2-yl-2-pyridinyl)-5-methyl-1,3-oxazole;3-(difluoromethyl)-5-propan-2-yl-2-pyrazol-1-ylpyridine;3-(difluoromethyl)-5-propan-2-yl-2-(triazol-2-yl)pyridine;3-methoxy-5-propan-2-yl-2-pyrazol-1-ylpyridine;2-methoxy-5-propan-2-ylpyridine-3-carbonitrile;3-methoxy-5-propan-2-yl-2-(triazol-2-yl)pyridine;5-propan-2-yl-2-(triazol-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 158150837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).