5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;3,6-dimethylpyridin-2-amine;5-methoxy-2-methylbenzamide;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazine-1,4-diamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine

C105H127Cl2N19O15S5 — CID 158693622

IUPAC5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;3,6-dimethylpyridin-2-amine;5-methoxy-2-methylbenzamide;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazine-1,4-diamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine
SMILESCOc1ccc(C)c(C(N)=O)c1.COc1ccc(C)c(S(C)(=O)=O)c1.COc1ccc(C)c(S(N)(=O)=O)c1.Cc1ccc(C)c(N)n1.Cc1ccc(Cl)cn1.Cc1ccc(Cl)s1.Cc1ccc2c(N)nnc(N)c2c1.Cc1cccc(-c2n[nH]c(=O)[nH]2)c1.Cc1cccc(C(N)=O)c1.Cc1cccc(N)n1.Cc1ccccc1C(N)=O.Cc1ccccc1S(C)(=O)=O.Cc1ccccc1S(N)(=O)=O.Cc1ccnc(N)c1
InChIInChI=1S/C9H10N4.C9H9N3O.C9H11NO2.C9H12O3S.C8H11NO3S.2C8H9NO.C8H10O2S.C7H10N2.C7H9NO2S.C6H6ClN.2C6H8N2.C5H5ClS/c1-5-2-3-6-7(4-5)9(11)13-12-8(6)10;1-6-3-2-4-7(5-6)8-10-9(13)12-11-8;1-6-3-4-7(12-2)5-8(6)9(10)11;1-7-4-5-8(12-2)6-9(7)13(3,10)11;1-6-3-4-7(12-2)5-8(6)13(9,10)11;1-6-3-2-4-7(5-6)8(9)10;1-6-4-2-3-5-7(6)8(9)10;1-7-5-3-4-6-8(7)11(2,9)10;1-5-3-4-6(2)9-7(5)8;1-6-4-2-3-5-7(6)11(8,9)10;1-5-2-3-6(7)4-8-5;1-5-2-3-8-6(7)4-5;1-5-3-2-4-6(7)8-5;1-4-2-3-5(6)7-4/h2-4H,1H3,(H2,10,12)(H2,11,13);2-5H,1H3,(H2,10,11,12,13);3-5H,1-2H3,(H2,10,11);4-6H,1-3H3;3-5H,1-2H3,(H2,9,10,11);2*2-5H,1H3,(H2,9,10);3-6H,1-2H3;3-4H,1-2H3,(H2,8,9);2-5H,1H3,(H2,8,9,10);2-4H,1H3;2*2-4H,1H3,(H2,7,8);2-3H,1H3
InChIKeyIGQTTWKMIRPSFI-UHFFFAOYSA-N
MW2126.53 g/mol
LogP17.54
Rot. Bonds11

About 5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;3,6-dimethylpyridin-2-amine;5-methoxy-2-methylbenzamide;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazine-1,4-diamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine

5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;3,6-dimethylpyridin-2-amine;5-methoxy-2-methylbenzamide;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazine-1,4-diamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine (PubChem CID 158693622) has the molecular formula C105H127Cl2N19O15S5 and a molecular weight of 2126.53 g/mol. Its IUPAC name is 5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;3,6-dimethylpyridin-2-amine;5-methoxy-2-methylbenzamide;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazine-1,4-diamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;3,6-dimethylpyridin-2-amine;5-methoxy-2-methylbenzamide;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazine-1,4-diamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine
PubChem CID158693622
Molecular FormulaC105H127Cl2N19O15S5
Molecular Weight2126.53 g/mol
Exact Mass2123.77
IUPAC Name5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;3,6-dimethylpyridin-2-amine;5-methoxy-2-methylbenzamide;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazine-1,4-diamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine
SMILESCOc1ccc(C)c(C(N)=O)c1.COc1ccc(C)c(S(C)(=O)=O)c1.COc1ccc(C)c(S(N)(=O)=O)c1.Cc1ccc(C)c(N)n1.Cc1ccc(Cl)cn1.Cc1ccc(Cl)s1.Cc1ccc2c(N)nnc(N)c2c1.Cc1cccc(-c2n[nH]c(=O)[nH]2)c1.Cc1cccc(C(N)=O)c1.Cc1cccc(N)n1.Cc1ccccc1C(N)=O.Cc1ccccc1S(C)(=O)=O.Cc1ccccc1S(N)(=O)=O.Cc1ccnc(N)c1
InChIInChI=1S/C9H10N4.C9H9N3O.C9H11NO2.C9H12O3S.C8H11NO3S.2C8H9NO.C8H10O2S.C7H10N2.C7H9NO2S.C6H6ClN.2C6H8N2.C5H5ClS/c1-5-2-3-6-7(4-5)9(11)13-12-8(6)10;1-6-3-2-4-7(5-6)8-10-9(13)12-11-8;1-6-3-4-7(12-2)5-8(6)9(10)11;1-7-4-5-8(12-2)6-9(7)13(3,10)11;1-6-3-4-7(12-2)5-8(6)13(9,10)11;1-6-3-2-4-7(5-6)8(9)10;1-6-4-2-3-5-7(6)8(9)10;1-7-5-3-4-6-8(7)11(2,9)10;1-5-3-4-6(2)9-7(5)8;1-6-4-2-3-5-7(6)11(8,9)10;1-5-2-3-6(7)4-8-5;1-5-2-3-8-6(7)4-5;1-5-3-2-4-6(7)8-5;1-4-2-3-5(6)7-4/h2-4H,1H3,(H2,10,12)(H2,11,13);2-5H,1H3,(H2,10,11,12,13);3-5H,1-2H3,(H2,10,11);4-6H,1-3H3;3-5H,1-2H3,(H2,9,10,11);2*2-5H,1H3,(H2,9,10);3-6H,1-2H3;3-4H,1-2H3,(H2,8,9);2-5H,1H3,(H2,8,9,10);2-4H,1H3;2*2-4H,1H3,(H2,7,8);2-3H,1H3
InChIKeyIGQTTWKMIRPSFI-UHFFFAOYSA-N
XLogP17.54
TPSA614.54 Ų
H-Bond Donors12
H-Bond Acceptors28
Rotatable Bonds11
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002126.53
LogP ≤ 517.54
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1028

Analyze 5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;3,6-dimethylpyridin-2-amine;5-methoxy-2-methylbenzamide;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazine-1,4-diamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;3,6-dimethylpyridin-2-amine;5-methoxy-2-methylbenzamide;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazine-1,4-diamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine?
The IUPAC name of 5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;3,6-dimethylpyridin-2-amine;5-methoxy-2-methylbenzamide;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazine-1,4-diamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine (CID 158693622) is 5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;3,6-dimethylpyridin-2-amine;5-methoxy-2-methylbenzamide;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazine-1,4-diamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine.
What is the SMILES notation for 5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;3,6-dimethylpyridin-2-amine;5-methoxy-2-methylbenzamide;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazine-1,4-diamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine?
The canonical SMILES for 5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;3,6-dimethylpyridin-2-amine;5-methoxy-2-methylbenzamide;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazine-1,4-diamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine is COc1ccc(C)c(C(N)=O)c1.COc1ccc(C)c(S(C)(=O)=O)c1.COc1ccc(C)c(S(N)(=O)=O)c1.Cc1ccc(C)c(N)n1.Cc1ccc(Cl)cn1.Cc1ccc(Cl)s1.Cc1ccc2c(N)nnc(N)c2c1.Cc1cccc(-c2n[nH]c(=O)[nH]2)c1.Cc1cccc(C(N)=O)c1.Cc1cccc(N)n1.Cc1ccccc1C(N)=O.Cc1ccccc1S(C)(=O)=O.Cc1ccccc1S(N)(=O)=O.Cc1ccnc(N)c1.
What is the InChIKey of 5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;3,6-dimethylpyridin-2-amine;5-methoxy-2-methylbenzamide;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazine-1,4-diamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine?
The InChIKey is IGQTTWKMIRPSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4.C9H9N3O.C9H11NO2.C9H12O3S.C8H11NO3S.2C8H9NO.C8H10O2S.C7H10N2.C7H9NO2S.C6H6ClN.2C6H8N2.C5H5ClS/c1-5-2-3-6-7(4-5)9(11)13-12-8(6)10;1-6-3-2-4-7(5-6)8-10-9(13)12-11-8;1-6-3-4-7(12-2)5-8(6)9(10)11;1-7-4-5-8(12-2)6-9(7)13(3,10)11;1-6-3-4-7(12-2)5-8(6)13(9,10)11;1-6-3-2-4-7(5-6)8(9)10;1-6-4-2-3-5-7(6)8(9)10;1-7-5-3-4-6-8(7)11(2,9)10;1-5-3-4-6(2)9-7(5)8;1-6-4-2-3-5-7(6)11(8,9)10;1-5-2-3-6(7)4-8-5;1-5-2-3-8-6(7)4-5;1-5-3-2-4-6(7)8-5;1-4-2-3-5(6)7-4/h2-4H,1H3,(H2,10,12)(H2,11,13);2-5H,1H3,(H2,10,11,12,13);3-5H,1-2H3,(H2,10,11);4-6H,1-3H3;3-5H,1-2H3,(H2,9,10,11);2*2-5H,1H3,(H2,9,10);3-6H,1-2H3;3-4H,1-2H3,(H2,8,9);2-5H,1H3,(H2,8,9,10);2-4H,1H3;2*2-4H,1H3,(H2,7,8);2-3H,1H3.
What are the key properties of 5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;3,6-dimethylpyridin-2-amine;5-methoxy-2-methylbenzamide;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazine-1,4-diamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine?
5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;3,6-dimethylpyridin-2-amine;5-methoxy-2-methylbenzamide;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazine-1,4-diamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine has a molecular weight of 2126.53 g/mol, XLogP of 17.54, 11 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;3,6-dimethylpyridin-2-amine;5-methoxy-2-methylbenzamide;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazine-1,4-diamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine is sourced from PubChem (CID 158693622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).