1-chloro-4-methylbenzene;2-chloro-6-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-7-methylisoquinoline;2-chloro-6-methylnaphthalene;3-chloro-6-methylpyridazine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;2-chloro-6-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;2-chloro-5-methylthiophene;methane;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one

C177H159Cl19N26O2S7 — CID 159595353

IUPAC1-chloro-4-methylbenzene;2-chloro-6-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-7-methylisoquinoline;2-chloro-6-methylnaphthalene;3-chloro-6-methylpyridazine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;2-chloro-6-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;2-chloro-5-methylthiophene;methane;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESC.Cc1cc2[nH]cc(Cl)c2cn1.Cc1cc2c(Cl)c[nH]c2s1.Cc1cc2cc(Cl)ccc2[nH]1.Cc1cc2cc(Cl)cnc2[nH]1.Cc1cc2cc(Cl)sc2[nH]1.Cc1cc2ccc(Cl)cc2s1.Cc1cc2ccc(Cl)nc2s1.Cc1ccc(Cl)cc1.Cc1ccc(Cl)cn1.Cc1ccc(Cl)nn1.Cc1ccc(Cl)s1.Cc1ccc2c(Cl)c[nH]c2c1.Cc1ccc2c(Cl)c[nH]c2n1.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2cc(Cl)ncc2c1.Cc1ccc2cc(Cl)sc2c1.Cc1ccc2cc(Cl)sc2n1.Cc1ccc2ccnc(N)c2c1.Cc1ccc2nc(Cl)ccc2c1.Cc1ccc2onc(N)c2c1.Cc1cccc(-c2n[nH]c(=O)[nH]2)c1.Cc1ncc(Cl)cn1
InChIInChI=1S/C11H9Cl.2C10H8ClN.C10H10N2.2C9H8ClN.2C9H7ClS.C9H9N3O.3C8H7ClN2.2C8H6ClNS.C8H8N2O.2C7H6ClNS.C7H7Cl.C6H6ClN.2C5H5ClN2.C5H5ClS.CH4/c1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-2-3-8-5-10(11)12-6-9(8)4-7;1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-6-4-7-5-8(10)2-3-9(7)11-6;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;1-6-2-3-7-5-9(10)11-8(7)4-6;1-6-3-2-4-7(5-6)8-10-9(13)12-11-8;1-5-2-8-6(3-10-5)7(9)4-11-8;1-5-2-6-3-7(9)4-10-8(6)11-5;1-5-2-3-6-7(9)4-10-8(6)11-5;1-5-4-6-2-3-7(9)10-8(6)11-5;1-5-2-3-6-4-7(9)11-8(6)10-5;1-5-2-3-7-6(4-5)8(9)10-11-7;1-4-2-5-6(8)3-9-7(5)10-4;1-4-2-5-3-6(8)10-7(5)9-4;1-6-2-4-7(8)5-3-6;1-5-2-3-6(7)4-8-5;1-4-7-2-5(6)3-8-4;1-4-2-3-5(6)8-7-4;1-4-2-3-5(6)7-4;/h2-7H,1H3;2*2-6H,1H3;2-6H,1H3,(H2,11,12);2*2-5,11H,1H3;2*2-5H,1H3;2-5H,1H3,(H2,10,11,12,13);2-4,11H,1H3;2*2-4H,1H3,(H,10,11);2*2-4H,1H3;2-4H,1H3,(H2,9,10);2*2-3,9H,1H3;2-5H,1H3;2-4H,1H3;2*2-3H,1H3;2-3H,1H3;1H4
InChIKeyMKTPIJCSZXHULI-UHFFFAOYSA-N
MW3580.47 g/mol
LogP60.49
Rot. Bonds1

About 1-chloro-4-methylbenzene;2-chloro-6-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-7-methylisoquinoline;2-chloro-6-methylnaphthalene;3-chloro-6-methylpyridazine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;2-chloro-6-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;2-chloro-5-methylthiophene;methane;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one

1-chloro-4-methylbenzene;2-chloro-6-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-7-methylisoquinoline;2-chloro-6-methylnaphthalene;3-chloro-6-methylpyridazine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;2-chloro-6-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;2-chloro-5-methylthiophene;methane;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 159595353) has the molecular formula C177H159Cl19N26O2S7 and a molecular weight of 3580.47 g/mol. Its IUPAC name is 1-chloro-4-methylbenzene;2-chloro-6-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-7-methylisoquinoline;2-chloro-6-methylnaphthalene;3-chloro-6-methylpyridazine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;2-chloro-6-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;2-chloro-5-methylthiophene;methane;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name1-chloro-4-methylbenzene;2-chloro-6-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-7-methylisoquinoline;2-chloro-6-methylnaphthalene;3-chloro-6-methylpyridazine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;2-chloro-6-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;2-chloro-5-methylthiophene;methane;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID159595353
Molecular FormulaC177H159Cl19N26O2S7
Molecular Weight3580.47 g/mol
Exact Mass3568.53
IUPAC Name1-chloro-4-methylbenzene;2-chloro-6-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-7-methylisoquinoline;2-chloro-6-methylnaphthalene;3-chloro-6-methylpyridazine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;2-chloro-6-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;2-chloro-5-methylthiophene;methane;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESC.Cc1cc2[nH]cc(Cl)c2cn1.Cc1cc2c(Cl)c[nH]c2s1.Cc1cc2cc(Cl)ccc2[nH]1.Cc1cc2cc(Cl)cnc2[nH]1.Cc1cc2cc(Cl)sc2[nH]1.Cc1cc2ccc(Cl)cc2s1.Cc1cc2ccc(Cl)nc2s1.Cc1ccc(Cl)cc1.Cc1ccc(Cl)cn1.Cc1ccc(Cl)nn1.Cc1ccc(Cl)s1.Cc1ccc2c(Cl)c[nH]c2c1.Cc1ccc2c(Cl)c[nH]c2n1.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2cc(Cl)ncc2c1.Cc1ccc2cc(Cl)sc2c1.Cc1ccc2cc(Cl)sc2n1.Cc1ccc2ccnc(N)c2c1.Cc1ccc2nc(Cl)ccc2c1.Cc1ccc2onc(N)c2c1.Cc1cccc(-c2n[nH]c(=O)[nH]2)c1.Cc1ncc(Cl)cn1
InChIInChI=1S/C11H9Cl.2C10H8ClN.C10H10N2.2C9H8ClN.2C9H7ClS.C9H9N3O.3C8H7ClN2.2C8H6ClNS.C8H8N2O.2C7H6ClNS.C7H7Cl.C6H6ClN.2C5H5ClN2.C5H5ClS.CH4/c1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-2-3-8-5-10(11)12-6-9(8)4-7;1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-6-4-7-5-8(10)2-3-9(7)11-6;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;1-6-2-3-7-5-9(10)11-8(7)4-6;1-6-3-2-4-7(5-6)8-10-9(13)12-11-8;1-5-2-8-6(3-10-5)7(9)4-11-8;1-5-2-6-3-7(9)4-10-8(6)11-5;1-5-2-3-6-7(9)4-10-8(6)11-5;1-5-4-6-2-3-7(9)10-8(6)11-5;1-5-2-3-6-4-7(9)11-8(6)10-5;1-5-2-3-7-6(4-5)8(9)10-11-7;1-4-2-5-6(8)3-9-7(5)10-4;1-4-2-5-3-6(8)10-7(5)9-4;1-6-2-4-7(8)5-3-6;1-5-2-3-6(7)4-8-5;1-4-7-2-5(6)3-8-4;1-4-2-3-5(6)8-7-4;1-4-2-3-5(6)7-4;/h2-7H,1H3;2*2-6H,1H3;2-6H,1H3,(H2,11,12);2*2-5,11H,1H3;2*2-5H,1H3;2-5H,1H3,(H2,10,11,12,13);2-4,11H,1H3;2*2-4H,1H3,(H,10,11);2*2-4H,1H3;2-4H,1H3,(H2,9,10);2*2-3,9H,1H3;2-5H,1H3;2-4H,1H3;2*2-3H,1H3;2-3H,1H3;1H4
InChIKeyMKTPIJCSZXHULI-UHFFFAOYSA-N
XLogP60.49
TPSA417.71 Ų
H-Bond Donors11
H-Bond Acceptors26
Rotatable Bonds1
Heavy Atoms231
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003580.47
LogP ≤ 560.49
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 1-chloro-4-methylbenzene;2-chloro-6-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-7-methylisoquinoline;2-chloro-6-methylnaphthalene;3-chloro-6-methylpyridazine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;2-chloro-6-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;2-chloro-5-methylthiophene;methane;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methylbenzene;2-chloro-6-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-7-methylisoquinoline;2-chloro-6-methylnaphthalene;3-chloro-6-methylpyridazine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;2-chloro-6-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;2-chloro-5-methylthiophene;methane;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 1-chloro-4-methylbenzene;2-chloro-6-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-7-methylisoquinoline;2-chloro-6-methylnaphthalene;3-chloro-6-methylpyridazine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;2-chloro-6-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;2-chloro-5-methylthiophene;methane;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one (CID 159595353) is 1-chloro-4-methylbenzene;2-chloro-6-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-7-methylisoquinoline;2-chloro-6-methylnaphthalene;3-chloro-6-methylpyridazine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;2-chloro-6-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;2-chloro-5-methylthiophene;methane;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 1-chloro-4-methylbenzene;2-chloro-6-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-7-methylisoquinoline;2-chloro-6-methylnaphthalene;3-chloro-6-methylpyridazine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;2-chloro-6-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;2-chloro-5-methylthiophene;methane;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 1-chloro-4-methylbenzene;2-chloro-6-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-7-methylisoquinoline;2-chloro-6-methylnaphthalene;3-chloro-6-methylpyridazine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;2-chloro-6-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;2-chloro-5-methylthiophene;methane;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one is C.Cc1cc2[nH]cc(Cl)c2cn1.Cc1cc2c(Cl)c[nH]c2s1.Cc1cc2cc(Cl)ccc2[nH]1.Cc1cc2cc(Cl)cnc2[nH]1.Cc1cc2cc(Cl)sc2[nH]1.Cc1cc2ccc(Cl)cc2s1.Cc1cc2ccc(Cl)nc2s1.Cc1ccc(Cl)cc1.Cc1ccc(Cl)cn1.Cc1ccc(Cl)nn1.Cc1ccc(Cl)s1.Cc1ccc2c(Cl)c[nH]c2c1.Cc1ccc2c(Cl)c[nH]c2n1.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2cc(Cl)ncc2c1.Cc1ccc2cc(Cl)sc2c1.Cc1ccc2cc(Cl)sc2n1.Cc1ccc2ccnc(N)c2c1.Cc1ccc2nc(Cl)ccc2c1.Cc1ccc2onc(N)c2c1.Cc1cccc(-c2n[nH]c(=O)[nH]2)c1.Cc1ncc(Cl)cn1.
What is the InChIKey of 1-chloro-4-methylbenzene;2-chloro-6-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-7-methylisoquinoline;2-chloro-6-methylnaphthalene;3-chloro-6-methylpyridazine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;2-chloro-6-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;2-chloro-5-methylthiophene;methane;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is MKTPIJCSZXHULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl.2C10H8ClN.C10H10N2.2C9H8ClN.2C9H7ClS.C9H9N3O.3C8H7ClN2.2C8H6ClNS.C8H8N2O.2C7H6ClNS.C7H7Cl.C6H6ClN.2C5H5ClN2.C5H5ClS.CH4/c1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-2-3-8-5-10(11)12-6-9(8)4-7;1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-6-4-7-5-8(10)2-3-9(7)11-6;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;1-6-2-3-7-5-9(10)11-8(7)4-6;1-6-3-2-4-7(5-6)8-10-9(13)12-11-8;1-5-2-8-6(3-10-5)7(9)4-11-8;1-5-2-6-3-7(9)4-10-8(6)11-5;1-5-2-3-6-7(9)4-10-8(6)11-5;1-5-4-6-2-3-7(9)10-8(6)11-5;1-5-2-3-6-4-7(9)11-8(6)10-5;1-5-2-3-7-6(4-5)8(9)10-11-7;1-4-2-5-6(8)3-9-7(5)10-4;1-4-2-5-3-6(8)10-7(5)9-4;1-6-2-4-7(8)5-3-6;1-5-2-3-6(7)4-8-5;1-4-7-2-5(6)3-8-4;1-4-2-3-5(6)8-7-4;1-4-2-3-5(6)7-4;/h2-7H,1H3;2*2-6H,1H3;2-6H,1H3,(H2,11,12);2*2-5,11H,1H3;2*2-5H,1H3;2-5H,1H3,(H2,10,11,12,13);2-4,11H,1H3;2*2-4H,1H3,(H,10,11);2*2-4H,1H3;2-4H,1H3,(H2,9,10);2*2-3,9H,1H3;2-5H,1H3;2-4H,1H3;2*2-3H,1H3;2-3H,1H3;1H4.
What are the key properties of 1-chloro-4-methylbenzene;2-chloro-6-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-7-methylisoquinoline;2-chloro-6-methylnaphthalene;3-chloro-6-methylpyridazine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;2-chloro-6-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;2-chloro-5-methylthiophene;methane;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one?
1-chloro-4-methylbenzene;2-chloro-6-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-7-methylisoquinoline;2-chloro-6-methylnaphthalene;3-chloro-6-methylpyridazine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;2-chloro-6-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;2-chloro-5-methylthiophene;methane;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 3580.47 g/mol, XLogP of 60.49, 1 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methylbenzene;2-chloro-6-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-7-methylisoquinoline;2-chloro-6-methylnaphthalene;3-chloro-6-methylpyridazine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;2-chloro-6-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;2-chloro-5-methyl-6H-thieno[2,3-b]pyrrole;4-chloro-2-methyl-6H-thieno[2,3-b]pyrrole;2-chloro-5-methylthiophene;methane;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 159595353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).