6-chloro-3-methyl-2-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;2-fluoro-3-methylnaphthalene;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;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

C233H221Cl4F7N22O8S7 — CID 172934121

IUPAC6-chloro-3-methyl-2-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;2-fluoro-3-methylnaphthalene;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;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
SMILESCc1cc2cc(Cl)ccc2cc1S(C)(=O)=O.Cc1cc2ccc(F)cc2s1.Cc1cc2ccc(F)nc2s1.Cc1cc2ccccc2cc1/C(N)=N\O.Cc1cc2ccccc2cc1C#N.Cc1cc2ccccc2cc1C(N)=O.Cc1cc2ccccc2cc1CN.Cc1cc2ccccc2cc1Cl.Cc1cc2ccccc2cc1F.Cc1cc2ccccc2cc1S(C)(=O)=O.Cc1cc2ccccc2cc1S(N)(=O)=O.Cc1ccc(C)nc1.Cc1ccc(F)cn1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(F)c[nH]c2c1.Cc1ccc2cc(C)sc2c1.Cc1ccc2cc(C)sc2n1.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2nc(C)ccc2c1.Cc1ccc2nc(F)ccc2c1.Cc1cnc(C)nc1.Cc1ncc(Cl)cn1.Cc1ncc(F)cn1.[H]/N=C(\N)c1cc2ccccc2cc1C
InChIInChI=1S/C12H11ClO2S.C12H12N2O.C12H12N2.C12H11NO.C12H13N.C12H9N.C12H12O2S.2C11H9Cl.C11H9F.C11H11NO2S.C11H11N.C10H8FN.C10H11N.C10H10S.C9H8FN.C9H7FS.C9H9NS.C8H6FNS.C7H9N.C6H6FN.C6H8N2.C5H5ClN2.C5H5FN2/c1-8-5-10-6-11(13)4-3-9(10)7-12(8)16(2,14)15;1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)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;1-8-2-3-10-7-11(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;1-8-3-6-11-10(7-8)5-4-9(2)12-11;1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-3-4-9-8(2)6-11-10(9)5-7;1-7-3-4-9-6-8(2)11-10(9)5-7;1-6-2-3-7-8(10)5-11-9(7)4-6;1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-3-4-8-5-7(2)11-9(8)10-6;1-5-4-6-2-3-7(9)10-8(6)11-5;1-6-3-4-7(2)8-5-6;1-5-2-3-6(7)4-8-5;1-5-3-7-6(2)8-4-5;2*1-4-7-2-5(6)3-8-4/h3-7H,1-2H3;2-7,15H,1H3,(H2,13,14);2-7H,1H3,(H3,13,14);2-7H,1H3,(H2,13,14);2-7H,8,13H2,1H3;2-7H,1H3;3-8H,1-2H3;3*2-7H,1H3;2-7H,1H3,(H2,12,13,14);3-7H,1-2H3;2-6H,1H3;3-6,11H,1-2H3;3-6H,1-2H3;2-5,11H,1H3;2-5H,1H3;3-5H,1-2H3;2-4H,1H3;3-5H,1-2H3;2-4H,1H3;3-4H,1-2H3;2*2-3H,1H3
InChIKeyQLIIRSNOBSJKNP-UHFFFAOYSA-N
MW3956.74 g/mol
LogP61.13
Rot. Bonds7

About 6-chloro-3-methyl-2-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;2-fluoro-3-methylnaphthalene;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;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

6-chloro-3-methyl-2-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;2-fluoro-3-methylnaphthalene;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;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 (PubChem CID 172934121) has the molecular formula C233H221Cl4F7N22O8S7 and a molecular weight of 3956.74 g/mol. Its IUPAC name is 6-chloro-3-methyl-2-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;2-fluoro-3-methylnaphthalene;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;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.

Molecular Properties

Compound Name6-chloro-3-methyl-2-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;2-fluoro-3-methylnaphthalene;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;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
PubChem CID172934121
Molecular FormulaC233H221Cl4F7N22O8S7
Molecular Weight3956.74 g/mol
Exact Mass3951.43
IUPAC Name6-chloro-3-methyl-2-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;2-fluoro-3-methylnaphthalene;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;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
SMILESCc1cc2cc(Cl)ccc2cc1S(C)(=O)=O.Cc1cc2ccc(F)cc2s1.Cc1cc2ccc(F)nc2s1.Cc1cc2ccccc2cc1/C(N)=N\O.Cc1cc2ccccc2cc1C#N.Cc1cc2ccccc2cc1C(N)=O.Cc1cc2ccccc2cc1CN.Cc1cc2ccccc2cc1Cl.Cc1cc2ccccc2cc1F.Cc1cc2ccccc2cc1S(C)(=O)=O.Cc1cc2ccccc2cc1S(N)(=O)=O.Cc1ccc(C)nc1.Cc1ccc(F)cn1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(F)c[nH]c2c1.Cc1ccc2cc(C)sc2c1.Cc1ccc2cc(C)sc2n1.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2nc(C)ccc2c1.Cc1ccc2nc(F)ccc2c1.Cc1cnc(C)nc1.Cc1ncc(Cl)cn1.Cc1ncc(F)cn1.[H]/N=C(\N)c1cc2ccccc2cc1C
InChIInChI=1S/C12H11ClO2S.C12H12N2O.C12H12N2.C12H11NO.C12H13N.C12H9N.C12H12O2S.2C11H9Cl.C11H9F.C11H11NO2S.C11H11N.C10H8FN.C10H11N.C10H10S.C9H8FN.C9H7FS.C9H9NS.C8H6FNS.C7H9N.C6H6FN.C6H8N2.C5H5ClN2.C5H5FN2/c1-8-5-10-6-11(13)4-3-9(10)7-12(8)16(2,14)15;1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)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;1-8-2-3-10-7-11(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;1-8-3-6-11-10(7-8)5-4-9(2)12-11;1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-3-4-9-8(2)6-11-10(9)5-7;1-7-3-4-9-6-8(2)11-10(9)5-7;1-6-2-3-7-8(10)5-11-9(7)4-6;1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-3-4-8-5-7(2)11-9(8)10-6;1-5-4-6-2-3-7(9)10-8(6)11-5;1-6-3-4-7(2)8-5-6;1-5-2-3-6(7)4-8-5;1-5-3-7-6(2)8-4-5;2*1-4-7-2-5(6)3-8-4/h3-7H,1-2H3;2-7,15H,1H3,(H2,13,14);2-7H,1H3,(H3,13,14);2-7H,1H3,(H2,13,14);2-7H,8,13H2,1H3;2-7H,1H3;3-8H,1-2H3;3*2-7H,1H3;2-7H,1H3,(H2,12,13,14);3-7H,1-2H3;2-6H,1H3;3-6,11H,1-2H3;3-6H,1-2H3;2-5,11H,1H3;2-5H,1H3;3-5H,1-2H3;2-4H,1H3;3-5H,1-2H3;2-4H,1H3;3-4H,1-2H3;2*2-3H,1H3
InChIKeyQLIIRSNOBSJKNP-UHFFFAOYSA-N
XLogP61.13
TPSA516.08 Ų
H-Bond Donors9
H-Bond Acceptors28
Rotatable Bonds7
Heavy Atoms281
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003956.74
LogP ≤ 561.13
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-chloro-3-methyl-2-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;2-fluoro-3-methylnaphthalene;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methyl-2-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;2-fluoro-3-methylnaphthalene;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;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?
The IUPAC name of 6-chloro-3-methyl-2-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;2-fluoro-3-methylnaphthalene;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;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 (CID 172934121) is 6-chloro-3-methyl-2-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;2-fluoro-3-methylnaphthalene;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;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.
What is the SMILES notation for 6-chloro-3-methyl-2-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;2-fluoro-3-methylnaphthalene;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;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?
The canonical SMILES for 6-chloro-3-methyl-2-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;2-fluoro-3-methylnaphthalene;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;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 is Cc1cc2cc(Cl)ccc2cc1S(C)(=O)=O.Cc1cc2ccc(F)cc2s1.Cc1cc2ccc(F)nc2s1.Cc1cc2ccccc2cc1/C(N)=N\O.Cc1cc2ccccc2cc1C#N.Cc1cc2ccccc2cc1C(N)=O.Cc1cc2ccccc2cc1CN.Cc1cc2ccccc2cc1Cl.Cc1cc2ccccc2cc1F.Cc1cc2ccccc2cc1S(C)(=O)=O.Cc1cc2ccccc2cc1S(N)(=O)=O.Cc1ccc(C)nc1.Cc1ccc(F)cn1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(F)c[nH]c2c1.Cc1ccc2cc(C)sc2c1.Cc1ccc2cc(C)sc2n1.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2nc(C)ccc2c1.Cc1ccc2nc(F)ccc2c1.Cc1cnc(C)nc1.Cc1ncc(Cl)cn1.Cc1ncc(F)cn1.[H]/N=C(\N)c1cc2ccccc2cc1C.
What is the InChIKey of 6-chloro-3-methyl-2-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;2-fluoro-3-methylnaphthalene;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;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?
The InChIKey is QLIIRSNOBSJKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClO2S.C12H12N2O.C12H12N2.C12H11NO.C12H13N.C12H9N.C12H12O2S.2C11H9Cl.C11H9F.C11H11NO2S.C11H11N.C10H8FN.C10H11N.C10H10S.C9H8FN.C9H7FS.C9H9NS.C8H6FNS.C7H9N.C6H6FN.C6H8N2.C5H5ClN2.C5H5FN2/c1-8-5-10-6-11(13)4-3-9(10)7-12(8)16(2,14)15;1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)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;1-8-2-3-10-7-11(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;1-8-3-6-11-10(7-8)5-4-9(2)12-11;1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-3-4-9-8(2)6-11-10(9)5-7;1-7-3-4-9-6-8(2)11-10(9)5-7;1-6-2-3-7-8(10)5-11-9(7)4-6;1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-3-4-8-5-7(2)11-9(8)10-6;1-5-4-6-2-3-7(9)10-8(6)11-5;1-6-3-4-7(2)8-5-6;1-5-2-3-6(7)4-8-5;1-5-3-7-6(2)8-4-5;2*1-4-7-2-5(6)3-8-4/h3-7H,1-2H3;2-7,15H,1H3,(H2,13,14);2-7H,1H3,(H3,13,14);2-7H,1H3,(H2,13,14);2-7H,8,13H2,1H3;2-7H,1H3;3-8H,1-2H3;3*2-7H,1H3;2-7H,1H3,(H2,12,13,14);3-7H,1-2H3;2-6H,1H3;3-6,11H,1-2H3;3-6H,1-2H3;2-5,11H,1H3;2-5H,1H3;3-5H,1-2H3;2-4H,1H3;3-5H,1-2H3;2-4H,1H3;3-4H,1-2H3;2*2-3H,1H3.
What are the key properties of 6-chloro-3-methyl-2-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;2-fluoro-3-methylnaphthalene;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;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?
6-chloro-3-methyl-2-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;2-fluoro-3-methylnaphthalene;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;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 has a molecular weight of 3956.74 g/mol, XLogP of 61.13, 7 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methyl-2-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;2-fluoro-3-methylnaphthalene;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;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 is sourced from PubChem (CID 172934121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).