1-chloro-6-fluoro-7-methylnaphthalene;5-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-chloro-1-methoxy-4-methylbenzene;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-carboximidamide;5-chloro-3-methylnaphthalene-2-sulfonamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;2-chloro-4-methyl-1-(trifluoromethyl)benzene;2-fluoro-3-methylnaphthalene;5-methoxy-2-methylpyridine;5-methoxy-2-methylpyrimidine;methyl 6-methylpyridine-3-carboxylate;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;2-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)pyridine

C268H249Cl12F11N24O16S4 — CID 172950085

IUPAC1-chloro-6-fluoro-7-methylnaphthalene;5-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-chloro-1-methoxy-4-methylbenzene;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-carboximidamide;5-chloro-3-methylnaphthalene-2-sulfonamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;2-chloro-4-methyl-1-(trifluoromethyl)benzene;2-fluoro-3-methylnaphthalene;5-methoxy-2-methylpyridine;5-methoxy-2-methylpyrimidine;methyl 6-methylpyridine-3-carboxylate;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;2-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)pyridine
SMILESCOC(=O)c1ccc(C)nc1.COc1ccc(C)cc1Cl.COc1ccc(C)nc1.COc1cnc(C)nc1.Cc1cc2c(Cl)cccc2cc1/C(N)=N\O.Cc1cc2c(Cl)cccc2cc1C#N.Cc1cc2c(Cl)cccc2cc1C(N)=O.Cc1cc2c(Cl)cccc2cc1CN.Cc1cc2c(Cl)cccc2cc1F.Cc1cc2c(Cl)cccc2cc1S(C)(=O)=O.Cc1cc2c(Cl)cccc2cc1S(N)(=O)=O.Cc1cc2ccccc2cc1C#N.Cc1cc2ccccc2cc1C(N)=O.Cc1cc2ccccc2cc1CN.Cc1cc2ccccc2cc1Cl.Cc1cc2ccccc2cc1F.Cc1cc2ccccc2cc1S(C)(=O)=O.Cc1cc2ccccc2cc1S(N)(=O)=O.Cc1ccc(C#N)cn1.Cc1ccc(C(F)(F)F)c(Cl)c1.Cc1ccc(C(F)(F)F)cn1.Cc1ccc2cc(Cl)ccc2c1.Cc1cccc(C(F)(F)F)c1.Cc1ccccn1.Cc1ncccn1.[H]/N=C(\N)c1cc2cccc(Cl)c2cc1C.[H]/N=C(\N)c1cc2ccccc2cc1C
InChIInChI=1S/C12H11ClN2O.C12H11ClN2.C12H10ClNO.C12H12ClN.C12H8ClN.C12H11ClO2S.C12H12N2.C12H11NO.C12H13N.C12H9N.C12H12O2S.C11H8ClF.C11H10ClNO2S.2C11H9Cl.C11H9F.C11H11NO2S.C8H6ClF3.C8H9ClO.C8H7F3.C8H9NO2.C7H6F3N.C7H6N2.C7H9NO.C6H8N2O.C6H7N.C5H6N2/c1-7-5-10-8(3-2-4-11(10)13)6-9(7)12(14)15-16;2*1-7-5-10-8(3-2-4-11(10)13)6-9(7)12(14)15;2*1-8-5-11-9(6-10(8)7-14)3-2-4-12(11)13;1-8-6-10-9(4-3-5-11(10)13)7-12(8)16(2,14)15;2*1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14;2*1-9-6-10-4-2-3-5-11(10)7-12(9)8-13;1-9-7-10-5-3-4-6-11(10)8-12(9)15(2,13)14;1-7-5-9-8(6-11(7)13)3-2-4-10(9)12;1-7-5-9-8(3-2-4-10(9)12)6-11(7)16(13,14)15;1-8-2-3-10-7-11(12)5-4-9(10)6-8;2*1-8-6-9-4-2-3-5-10(9)7-11(8)12;1-8-6-9-4-2-3-5-10(9)7-11(8)15(12,13)14;1-5-2-3-6(7(9)4-5)8(10,11)12;1-6-3-4-8(10-2)7(9)5-6;1-6-3-2-4-7(5-6)8(9,10)11;1-6-3-4-7(5-9-6)8(10)11-2;1-5-2-3-6(4-11-5)7(8,9)10;1-6-2-3-7(4-8)5-9-6;1-6-3-4-7(9-2)5-8-6;1-5-7-3-6(9-2)4-8-5;1-6-4-2-3-5-7-6;1-5-6-3-2-4-7-5/h2-6,16H,1H3,(H2,14,15);2-6H,1H3,(H3,14,15);2-6H,1H3,(H2,14,15);2-6H,7,14H2,1H3;2-6H,1H3;3-7H,1-2H3;2-7H,1H3,(H3,13,14);2-7H,1H3,(H2,13,14);2-7H,8,13H2,1H3;2-7H,1H3;3-8H,1-2H3;2-6H,1H3;2-6H,1H3,(H2,13,14,15);3*2-7H,1H3;2-7H,1H3,(H2,12,13,14);2-4H,1H3;3-5H,1-2H3;2-5H,1H3;3-5H,1-2H3;2-4H,1H3;2-3,5H,1H3;3-5H,1-2H3;3-4H,1-2H3;2-5H,1H3;2-4H,1H3
InChIKeyRENQWFKYAKHJNV-UHFFFAOYSA-N
MW4824.77 g/mol
LogP69.51
Rot. Bonds15

About 1-chloro-6-fluoro-7-methylnaphthalene;5-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-chloro-1-methoxy-4-methylbenzene;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-carboximidamide;5-chloro-3-methylnaphthalene-2-sulfonamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;2-chloro-4-methyl-1-(trifluoromethyl)benzene;2-fluoro-3-methylnaphthalene;5-methoxy-2-methylpyridine;5-methoxy-2-methylpyrimidine;methyl 6-methylpyridine-3-carboxylate;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;2-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)pyridine

1-chloro-6-fluoro-7-methylnaphthalene;5-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-chloro-1-methoxy-4-methylbenzene;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-carboximidamide;5-chloro-3-methylnaphthalene-2-sulfonamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;2-chloro-4-methyl-1-(trifluoromethyl)benzene;2-fluoro-3-methylnaphthalene;5-methoxy-2-methylpyridine;5-methoxy-2-methylpyrimidine;methyl 6-methylpyridine-3-carboxylate;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;2-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)pyridine (PubChem CID 172950085) has the molecular formula C268H249Cl12F11N24O16S4 and a molecular weight of 4824.77 g/mol. Its IUPAC name is 1-chloro-6-fluoro-7-methylnaphthalene;5-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-chloro-1-methoxy-4-methylbenzene;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-carboximidamide;5-chloro-3-methylnaphthalene-2-sulfonamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;2-chloro-4-methyl-1-(trifluoromethyl)benzene;2-fluoro-3-methylnaphthalene;5-methoxy-2-methylpyridine;5-methoxy-2-methylpyrimidine;methyl 6-methylpyridine-3-carboxylate;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;2-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name1-chloro-6-fluoro-7-methylnaphthalene;5-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-chloro-1-methoxy-4-methylbenzene;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-carboximidamide;5-chloro-3-methylnaphthalene-2-sulfonamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;2-chloro-4-methyl-1-(trifluoromethyl)benzene;2-fluoro-3-methylnaphthalene;5-methoxy-2-methylpyridine;5-methoxy-2-methylpyrimidine;methyl 6-methylpyridine-3-carboxylate;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;2-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)pyridine
PubChem CID172950085
Molecular FormulaC268H249Cl12F11N24O16S4
Molecular Weight4824.77 g/mol
Exact Mass4815.44
IUPAC Name1-chloro-6-fluoro-7-methylnaphthalene;5-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-chloro-1-methoxy-4-methylbenzene;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-carboximidamide;5-chloro-3-methylnaphthalene-2-sulfonamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;2-chloro-4-methyl-1-(trifluoromethyl)benzene;2-fluoro-3-methylnaphthalene;5-methoxy-2-methylpyridine;5-methoxy-2-methylpyrimidine;methyl 6-methylpyridine-3-carboxylate;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;2-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)pyridine
SMILESCOC(=O)c1ccc(C)nc1.COc1ccc(C)cc1Cl.COc1ccc(C)nc1.COc1cnc(C)nc1.Cc1cc2c(Cl)cccc2cc1/C(N)=N\O.Cc1cc2c(Cl)cccc2cc1C#N.Cc1cc2c(Cl)cccc2cc1C(N)=O.Cc1cc2c(Cl)cccc2cc1CN.Cc1cc2c(Cl)cccc2cc1F.Cc1cc2c(Cl)cccc2cc1S(C)(=O)=O.Cc1cc2c(Cl)cccc2cc1S(N)(=O)=O.Cc1cc2ccccc2cc1C#N.Cc1cc2ccccc2cc1C(N)=O.Cc1cc2ccccc2cc1CN.Cc1cc2ccccc2cc1Cl.Cc1cc2ccccc2cc1F.Cc1cc2ccccc2cc1S(C)(=O)=O.Cc1cc2ccccc2cc1S(N)(=O)=O.Cc1ccc(C#N)cn1.Cc1ccc(C(F)(F)F)c(Cl)c1.Cc1ccc(C(F)(F)F)cn1.Cc1ccc2cc(Cl)ccc2c1.Cc1cccc(C(F)(F)F)c1.Cc1ccccn1.Cc1ncccn1.[H]/N=C(\N)c1cc2cccc(Cl)c2cc1C.[H]/N=C(\N)c1cc2ccccc2cc1C
InChIInChI=1S/C12H11ClN2O.C12H11ClN2.C12H10ClNO.C12H12ClN.C12H8ClN.C12H11ClO2S.C12H12N2.C12H11NO.C12H13N.C12H9N.C12H12O2S.C11H8ClF.C11H10ClNO2S.2C11H9Cl.C11H9F.C11H11NO2S.C8H6ClF3.C8H9ClO.C8H7F3.C8H9NO2.C7H6F3N.C7H6N2.C7H9NO.C6H8N2O.C6H7N.C5H6N2/c1-7-5-10-8(3-2-4-11(10)13)6-9(7)12(14)15-16;2*1-7-5-10-8(3-2-4-11(10)13)6-9(7)12(14)15;2*1-8-5-11-9(6-10(8)7-14)3-2-4-12(11)13;1-8-6-10-9(4-3-5-11(10)13)7-12(8)16(2,14)15;2*1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14;2*1-9-6-10-4-2-3-5-11(10)7-12(9)8-13;1-9-7-10-5-3-4-6-11(10)8-12(9)15(2,13)14;1-7-5-9-8(6-11(7)13)3-2-4-10(9)12;1-7-5-9-8(3-2-4-10(9)12)6-11(7)16(13,14)15;1-8-2-3-10-7-11(12)5-4-9(10)6-8;2*1-8-6-9-4-2-3-5-10(9)7-11(8)12;1-8-6-9-4-2-3-5-10(9)7-11(8)15(12,13)14;1-5-2-3-6(7(9)4-5)8(10,11)12;1-6-3-4-8(10-2)7(9)5-6;1-6-3-2-4-7(5-6)8(9,10)11;1-6-3-4-7(5-9-6)8(10)11-2;1-5-2-3-6(4-11-5)7(8,9)10;1-6-2-3-7(4-8)5-9-6;1-6-3-4-7(9-2)5-8-6;1-5-7-3-6(9-2)4-8-5;1-6-4-2-3-5-7-6;1-5-6-3-2-4-7-5/h2-6,16H,1H3,(H2,14,15);2-6H,1H3,(H3,14,15);2-6H,1H3,(H2,14,15);2-6H,7,14H2,1H3;2-6H,1H3;3-7H,1-2H3;2-7H,1H3,(H3,13,14);2-7H,1H3,(H2,13,14);2-7H,8,13H2,1H3;2-7H,1H3;3-8H,1-2H3;2-6H,1H3;2-6H,1H3,(H2,13,14,15);3*2-7H,1H3;2-7H,1H3,(H2,12,13,14);2-4H,1H3;3-5H,1-2H3;2-5H,1H3;3-5H,1-2H3;2-4H,1H3;2-3,5H,1H3;3-5H,1-2H3;3-4H,1-2H3;2-5H,1H3;2-4H,1H3
InChIKeyRENQWFKYAKHJNV-UHFFFAOYSA-N
XLogP69.51
TPSA726.54 Ų
H-Bond Donors12
H-Bond Acceptors33
Rotatable Bonds15
Heavy Atoms335
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004824.77
LogP ≤ 569.51
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1033

Analyze 1-chloro-6-fluoro-7-methylnaphthalene;5-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-chloro-1-methoxy-4-methylbenzene;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-carboximidamide;5-chloro-3-methylnaphthalene-2-sulfonamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;2-chloro-4-methyl-1-(trifluoromethyl)benzene;2-fluoro-3-methylnaphthalene;5-methoxy-2-methylpyridine;5-methoxy-2-methylpyrimidine;methyl 6-methylpyridine-3-carboxylate;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;2-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-6-fluoro-7-methylnaphthalene;5-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-chloro-1-methoxy-4-methylbenzene;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-carboximidamide;5-chloro-3-methylnaphthalene-2-sulfonamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;2-chloro-4-methyl-1-(trifluoromethyl)benzene;2-fluoro-3-methylnaphthalene;5-methoxy-2-methylpyridine;5-methoxy-2-methylpyrimidine;methyl 6-methylpyridine-3-carboxylate;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;2-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)pyridine?
The IUPAC name of 1-chloro-6-fluoro-7-methylnaphthalene;5-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-chloro-1-methoxy-4-methylbenzene;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-carboximidamide;5-chloro-3-methylnaphthalene-2-sulfonamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;2-chloro-4-methyl-1-(trifluoromethyl)benzene;2-fluoro-3-methylnaphthalene;5-methoxy-2-methylpyridine;5-methoxy-2-methylpyrimidine;methyl 6-methylpyridine-3-carboxylate;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;2-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)pyridine (CID 172950085) is 1-chloro-6-fluoro-7-methylnaphthalene;5-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-chloro-1-methoxy-4-methylbenzene;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-carboximidamide;5-chloro-3-methylnaphthalene-2-sulfonamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;2-chloro-4-methyl-1-(trifluoromethyl)benzene;2-fluoro-3-methylnaphthalene;5-methoxy-2-methylpyridine;5-methoxy-2-methylpyrimidine;methyl 6-methylpyridine-3-carboxylate;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;2-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 1-chloro-6-fluoro-7-methylnaphthalene;5-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-chloro-1-methoxy-4-methylbenzene;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-carboximidamide;5-chloro-3-methylnaphthalene-2-sulfonamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;2-chloro-4-methyl-1-(trifluoromethyl)benzene;2-fluoro-3-methylnaphthalene;5-methoxy-2-methylpyridine;5-methoxy-2-methylpyrimidine;methyl 6-methylpyridine-3-carboxylate;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;2-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 1-chloro-6-fluoro-7-methylnaphthalene;5-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-chloro-1-methoxy-4-methylbenzene;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-carboximidamide;5-chloro-3-methylnaphthalene-2-sulfonamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;2-chloro-4-methyl-1-(trifluoromethyl)benzene;2-fluoro-3-methylnaphthalene;5-methoxy-2-methylpyridine;5-methoxy-2-methylpyrimidine;methyl 6-methylpyridine-3-carboxylate;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;2-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)pyridine is COC(=O)c1ccc(C)nc1.COc1ccc(C)cc1Cl.COc1ccc(C)nc1.COc1cnc(C)nc1.Cc1cc2c(Cl)cccc2cc1/C(N)=N\O.Cc1cc2c(Cl)cccc2cc1C#N.Cc1cc2c(Cl)cccc2cc1C(N)=O.Cc1cc2c(Cl)cccc2cc1CN.Cc1cc2c(Cl)cccc2cc1F.Cc1cc2c(Cl)cccc2cc1S(C)(=O)=O.Cc1cc2c(Cl)cccc2cc1S(N)(=O)=O.Cc1cc2ccccc2cc1C#N.Cc1cc2ccccc2cc1C(N)=O.Cc1cc2ccccc2cc1CN.Cc1cc2ccccc2cc1Cl.Cc1cc2ccccc2cc1F.Cc1cc2ccccc2cc1S(C)(=O)=O.Cc1cc2ccccc2cc1S(N)(=O)=O.Cc1ccc(C#N)cn1.Cc1ccc(C(F)(F)F)c(Cl)c1.Cc1ccc(C(F)(F)F)cn1.Cc1ccc2cc(Cl)ccc2c1.Cc1cccc(C(F)(F)F)c1.Cc1ccccn1.Cc1ncccn1.[H]/N=C(\N)c1cc2cccc(Cl)c2cc1C.[H]/N=C(\N)c1cc2ccccc2cc1C.
What is the InChIKey of 1-chloro-6-fluoro-7-methylnaphthalene;5-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-chloro-1-methoxy-4-methylbenzene;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-carboximidamide;5-chloro-3-methylnaphthalene-2-sulfonamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;2-chloro-4-methyl-1-(trifluoromethyl)benzene;2-fluoro-3-methylnaphthalene;5-methoxy-2-methylpyridine;5-methoxy-2-methylpyrimidine;methyl 6-methylpyridine-3-carboxylate;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;2-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)pyridine?
The InChIKey is RENQWFKYAKHJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O.C12H11ClN2.C12H10ClNO.C12H12ClN.C12H8ClN.C12H11ClO2S.C12H12N2.C12H11NO.C12H13N.C12H9N.C12H12O2S.C11H8ClF.C11H10ClNO2S.2C11H9Cl.C11H9F.C11H11NO2S.C8H6ClF3.C8H9ClO.C8H7F3.C8H9NO2.C7H6F3N.C7H6N2.C7H9NO.C6H8N2O.C6H7N.C5H6N2/c1-7-5-10-8(3-2-4-11(10)13)6-9(7)12(14)15-16;2*1-7-5-10-8(3-2-4-11(10)13)6-9(7)12(14)15;2*1-8-5-11-9(6-10(8)7-14)3-2-4-12(11)13;1-8-6-10-9(4-3-5-11(10)13)7-12(8)16(2,14)15;2*1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14;2*1-9-6-10-4-2-3-5-11(10)7-12(9)8-13;1-9-7-10-5-3-4-6-11(10)8-12(9)15(2,13)14;1-7-5-9-8(6-11(7)13)3-2-4-10(9)12;1-7-5-9-8(3-2-4-10(9)12)6-11(7)16(13,14)15;1-8-2-3-10-7-11(12)5-4-9(10)6-8;2*1-8-6-9-4-2-3-5-10(9)7-11(8)12;1-8-6-9-4-2-3-5-10(9)7-11(8)15(12,13)14;1-5-2-3-6(7(9)4-5)8(10,11)12;1-6-3-4-8(10-2)7(9)5-6;1-6-3-2-4-7(5-6)8(9,10)11;1-6-3-4-7(5-9-6)8(10)11-2;1-5-2-3-6(4-11-5)7(8,9)10;1-6-2-3-7(4-8)5-9-6;1-6-3-4-7(9-2)5-8-6;1-5-7-3-6(9-2)4-8-5;1-6-4-2-3-5-7-6;1-5-6-3-2-4-7-5/h2-6,16H,1H3,(H2,14,15);2-6H,1H3,(H3,14,15);2-6H,1H3,(H2,14,15);2-6H,7,14H2,1H3;2-6H,1H3;3-7H,1-2H3;2-7H,1H3,(H3,13,14);2-7H,1H3,(H2,13,14);2-7H,8,13H2,1H3;2-7H,1H3;3-8H,1-2H3;2-6H,1H3;2-6H,1H3,(H2,13,14,15);3*2-7H,1H3;2-7H,1H3,(H2,12,13,14);2-4H,1H3;3-5H,1-2H3;2-5H,1H3;3-5H,1-2H3;2-4H,1H3;2-3,5H,1H3;3-5H,1-2H3;3-4H,1-2H3;2-5H,1H3;2-4H,1H3.
What are the key properties of 1-chloro-6-fluoro-7-methylnaphthalene;5-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-chloro-1-methoxy-4-methylbenzene;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-carboximidamide;5-chloro-3-methylnaphthalene-2-sulfonamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;2-chloro-4-methyl-1-(trifluoromethyl)benzene;2-fluoro-3-methylnaphthalene;5-methoxy-2-methylpyridine;5-methoxy-2-methylpyrimidine;methyl 6-methylpyridine-3-carboxylate;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;2-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)pyridine?
1-chloro-6-fluoro-7-methylnaphthalene;5-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-chloro-1-methoxy-4-methylbenzene;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-carboximidamide;5-chloro-3-methylnaphthalene-2-sulfonamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;2-chloro-4-methyl-1-(trifluoromethyl)benzene;2-fluoro-3-methylnaphthalene;5-methoxy-2-methylpyridine;5-methoxy-2-methylpyrimidine;methyl 6-methylpyridine-3-carboxylate;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;2-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)pyridine has a molecular weight of 4824.77 g/mol, XLogP of 69.51, 15 rotatable bonds, 12 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-6-fluoro-7-methylnaphthalene;5-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-chloro-1-methoxy-4-methylbenzene;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-carboximidamide;5-chloro-3-methylnaphthalene-2-sulfonamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;2-chloro-4-methyl-1-(trifluoromethyl)benzene;2-fluoro-3-methylnaphthalene;5-methoxy-2-methylpyridine;5-methoxy-2-methylpyrimidine;methyl 6-methylpyridine-3-carboxylate;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;2-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 172950085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).