6-chloro-3-methyl-1H-indole;3-chloro-6-methylpyridin-2-amine;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzenesulfonamide;6-methyl-1H-indol-3-amine;5-methyl-1H-indole;6-methyl-1H-indole;1-methylindole-6-carboximidamide;6-methyl-3H-isoindol-1-amine;2-methylpyridin-4-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine

C124H138Cl7FN24O6S4 — CID 172972602

IUPAC6-chloro-3-methyl-1H-indole;3-chloro-6-methylpyridin-2-amine;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzenesulfonamide;6-methyl-1H-indol-3-amine;5-methyl-1H-indole;6-methyl-1H-indole;1-methylindole-6-carboximidamide;6-methyl-3H-isoindol-1-amine;2-methylpyridin-4-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine
SMILESCOc1ccc(C)c(S(N)(=O)=O)c1.Cc1c[nH]c2cc(Cl)ccc12.Cc1cc(Cl)ccn1.Cc1cc(N)ccn1.Cc1ccc(Cl)c(N)n1.Cc1ccc(Cl)cn1.Cc1ccc(Cl)s1.Cc1ccc(F)c(/C(N)=N\O)c1.Cc1ccc2[nH]ccc2c1.Cc1ccc2c(N)c[nH]c2c1.Cc1ccc2c(c1)C(N)=NC2.Cc1ccc2cc[nH]c2c1.Cc1cccc(N)n1.Cc1ccccc1S(N)(=O)=O.Cc1ccnc(N)c1.Cc1sc(Cl)cc1Cl.[H]/N=C(\N)c1ccc2ccn(C)c2c1
InChIInChI=1S/C10H11N3.C9H8ClN.2C9H10N2.2C9H9N.C8H9FN2O.C8H11NO3S.C7H9NO2S.C6H7ClN2.2C6H6ClN.3C6H8N2.C5H4Cl2S.C5H5ClS/c1-13-5-4-7-2-3-8(10(11)12)6-9(7)13;1-6-5-11-9-4-7(10)2-3-8(6)9;1-6-2-3-7-8(10)5-11-9(7)4-6;1-6-2-3-7-5-11-9(10)8(7)4-6;1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7;1-5-2-3-7(9)6(4-5)8(10)11-12;1-6-3-4-7(12-2)5-8(6)13(9,10)11;1-6-4-2-3-5-7(6)11(8,9)10;1-4-2-3-5(7)6(8)9-4;1-5-4-6(7)2-3-8-5;1-5-2-3-6(7)4-8-5;1-5-4-6(7)2-3-8-5;1-5-2-3-8-6(7)4-5;1-5-3-2-4-6(7)8-5;1-3-4(6)2-5(7)8-3;1-4-2-3-5(6)7-4/h2-6H,1H3,(H3,11,12);2-5,11H,1H3;2-5,11H,10H2,1H3;2-4H,5H2,1H3,(H2,10,11);2*2-6,10H,1H3;2-4,12H,1H3,(H2,10,11);3-5H,1-2H3,(H2,9,10,11);2-5H,1H3,(H2,8,9,10);2-3H,1H3,(H2,8,9);2*2-4H,1H3;3*2-4H,1H3,(H2,7,8);2H,1H3;2-3H,1H3
InChIKeyIDAXTESBWAQJDS-UHFFFAOYSA-N
MW2456.07 g/mol
LogP30.04
Rot. Bonds5

About 6-chloro-3-methyl-1H-indole;3-chloro-6-methylpyridin-2-amine;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzenesulfonamide;6-methyl-1H-indol-3-amine;5-methyl-1H-indole;6-methyl-1H-indole;1-methylindole-6-carboximidamide;6-methyl-3H-isoindol-1-amine;2-methylpyridin-4-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine

6-chloro-3-methyl-1H-indole;3-chloro-6-methylpyridin-2-amine;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzenesulfonamide;6-methyl-1H-indol-3-amine;5-methyl-1H-indole;6-methyl-1H-indole;1-methylindole-6-carboximidamide;6-methyl-3H-isoindol-1-amine;2-methylpyridin-4-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine (PubChem CID 172972602) has the molecular formula C124H138Cl7FN24O6S4 and a molecular weight of 2456.07 g/mol. Its IUPAC name is 6-chloro-3-methyl-1H-indole;3-chloro-6-methylpyridin-2-amine;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzenesulfonamide;6-methyl-1H-indol-3-amine;5-methyl-1H-indole;6-methyl-1H-indole;1-methylindole-6-carboximidamide;6-methyl-3H-isoindol-1-amine;2-methylpyridin-4-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine.

Molecular Properties

Compound Name6-chloro-3-methyl-1H-indole;3-chloro-6-methylpyridin-2-amine;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzenesulfonamide;6-methyl-1H-indol-3-amine;5-methyl-1H-indole;6-methyl-1H-indole;1-methylindole-6-carboximidamide;6-methyl-3H-isoindol-1-amine;2-methylpyridin-4-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine
PubChem CID172972602
Molecular FormulaC124H138Cl7FN24O6S4
Molecular Weight2456.07 g/mol
Exact Mass2450.79
IUPAC Name6-chloro-3-methyl-1H-indole;3-chloro-6-methylpyridin-2-amine;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzenesulfonamide;6-methyl-1H-indol-3-amine;5-methyl-1H-indole;6-methyl-1H-indole;1-methylindole-6-carboximidamide;6-methyl-3H-isoindol-1-amine;2-methylpyridin-4-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine
SMILESCOc1ccc(C)c(S(N)(=O)=O)c1.Cc1c[nH]c2cc(Cl)ccc12.Cc1cc(Cl)ccn1.Cc1cc(N)ccn1.Cc1ccc(Cl)c(N)n1.Cc1ccc(Cl)cn1.Cc1ccc(Cl)s1.Cc1ccc(F)c(/C(N)=N\O)c1.Cc1ccc2[nH]ccc2c1.Cc1ccc2c(N)c[nH]c2c1.Cc1ccc2c(c1)C(N)=NC2.Cc1ccc2cc[nH]c2c1.Cc1cccc(N)n1.Cc1ccccc1S(N)(=O)=O.Cc1ccnc(N)c1.Cc1sc(Cl)cc1Cl.[H]/N=C(\N)c1ccc2ccn(C)c2c1
InChIInChI=1S/C10H11N3.C9H8ClN.2C9H10N2.2C9H9N.C8H9FN2O.C8H11NO3S.C7H9NO2S.C6H7ClN2.2C6H6ClN.3C6H8N2.C5H4Cl2S.C5H5ClS/c1-13-5-4-7-2-3-8(10(11)12)6-9(7)13;1-6-5-11-9-4-7(10)2-3-8(6)9;1-6-2-3-7-8(10)5-11-9(7)4-6;1-6-2-3-7-5-11-9(10)8(7)4-6;1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7;1-5-2-3-7(9)6(4-5)8(10)11-12;1-6-3-4-7(12-2)5-8(6)13(9,10)11;1-6-4-2-3-5-7(6)11(8,9)10;1-4-2-3-5(7)6(8)9-4;1-5-4-6(7)2-3-8-5;1-5-2-3-6(7)4-8-5;1-5-4-6(7)2-3-8-5;1-5-2-3-8-6(7)4-5;1-5-3-2-4-6(7)8-5;1-3-4(6)2-5(7)8-3;1-4-2-3-5(6)7-4/h2-6H,1H3,(H3,11,12);2-5,11H,1H3;2-5,11H,10H2,1H3;2-4H,5H2,1H3,(H2,10,11);2*2-6,10H,1H3;2-4,12H,1H3,(H2,10,11);3-5H,1-2H3,(H2,9,10,11);2-5H,1H3,(H2,8,9,10);2-3H,1H3,(H2,8,9);2*2-4H,1H3;3*2-4H,1H3,(H2,7,8);2H,1H3;2-3H,1H3
InChIKeyIDAXTESBWAQJDS-UHFFFAOYSA-N
XLogP30.04
TPSA551.94 Ų
H-Bond Donors16
H-Bond Acceptors24
Rotatable Bonds5
Heavy Atoms166
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002456.07
LogP ≤ 530.04
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'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-1H-indole;3-chloro-6-methylpyridin-2-amine;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzenesulfonamide;6-methyl-1H-indol-3-amine;5-methyl-1H-indole;6-methyl-1H-indole;1-methylindole-6-carboximidamide;6-methyl-3H-isoindol-1-amine;2-methylpyridin-4-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine with MolForge

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Related Compounds

3-chloro-1H-indole;5-chloro-2-methyl-1H-indole;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;1-ethyl-4-methylbenzene;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;2-methylbenzenesulfonamide;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;1-methyl-2-methylsulfonylbenzene
CID 157150303
6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;1-chloro-2-fluoro-4-methylbenzene;2-chloro-1-methoxy-4-methylbenzene;1-chloro-3-methylbenzene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;3-chloro-6-methylpyridin-2-amine;4-chloro-2-methylpyridine;1,2-dichloro-4-methylbenzene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,6-dimethylquinoline;1-ethyl-4-methylbenzene;1-fluoro-2-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methylbenzenecarboximidamide;6-methylisoquinoline;2-methylnaphthalene;4-methylpyridin-2-amine;6-methylquinoline;toluene
CID 162088880

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methyl-1H-indole;3-chloro-6-methylpyridin-2-amine;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzenesulfonamide;6-methyl-1H-indol-3-amine;5-methyl-1H-indole;6-methyl-1H-indole;1-methylindole-6-carboximidamide;6-methyl-3H-isoindol-1-amine;2-methylpyridin-4-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine?
The IUPAC name of 6-chloro-3-methyl-1H-indole;3-chloro-6-methylpyridin-2-amine;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzenesulfonamide;6-methyl-1H-indol-3-amine;5-methyl-1H-indole;6-methyl-1H-indole;1-methylindole-6-carboximidamide;6-methyl-3H-isoindol-1-amine;2-methylpyridin-4-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine (CID 172972602) is 6-chloro-3-methyl-1H-indole;3-chloro-6-methylpyridin-2-amine;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzenesulfonamide;6-methyl-1H-indol-3-amine;5-methyl-1H-indole;6-methyl-1H-indole;1-methylindole-6-carboximidamide;6-methyl-3H-isoindol-1-amine;2-methylpyridin-4-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine.
What is the SMILES notation for 6-chloro-3-methyl-1H-indole;3-chloro-6-methylpyridin-2-amine;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzenesulfonamide;6-methyl-1H-indol-3-amine;5-methyl-1H-indole;6-methyl-1H-indole;1-methylindole-6-carboximidamide;6-methyl-3H-isoindol-1-amine;2-methylpyridin-4-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine?
The canonical SMILES for 6-chloro-3-methyl-1H-indole;3-chloro-6-methylpyridin-2-amine;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzenesulfonamide;6-methyl-1H-indol-3-amine;5-methyl-1H-indole;6-methyl-1H-indole;1-methylindole-6-carboximidamide;6-methyl-3H-isoindol-1-amine;2-methylpyridin-4-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine is COc1ccc(C)c(S(N)(=O)=O)c1.Cc1c[nH]c2cc(Cl)ccc12.Cc1cc(Cl)ccn1.Cc1cc(N)ccn1.Cc1ccc(Cl)c(N)n1.Cc1ccc(Cl)cn1.Cc1ccc(Cl)s1.Cc1ccc(F)c(/C(N)=N\O)c1.Cc1ccc2[nH]ccc2c1.Cc1ccc2c(N)c[nH]c2c1.Cc1ccc2c(c1)C(N)=NC2.Cc1ccc2cc[nH]c2c1.Cc1cccc(N)n1.Cc1ccccc1S(N)(=O)=O.Cc1ccnc(N)c1.Cc1sc(Cl)cc1Cl.[H]/N=C(\N)c1ccc2ccn(C)c2c1.
What is the InChIKey of 6-chloro-3-methyl-1H-indole;3-chloro-6-methylpyridin-2-amine;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzenesulfonamide;6-methyl-1H-indol-3-amine;5-methyl-1H-indole;6-methyl-1H-indole;1-methylindole-6-carboximidamide;6-methyl-3H-isoindol-1-amine;2-methylpyridin-4-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine?
The InChIKey is IDAXTESBWAQJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3.C9H8ClN.2C9H10N2.2C9H9N.C8H9FN2O.C8H11NO3S.C7H9NO2S.C6H7ClN2.2C6H6ClN.3C6H8N2.C5H4Cl2S.C5H5ClS/c1-13-5-4-7-2-3-8(10(11)12)6-9(7)13;1-6-5-11-9-4-7(10)2-3-8(6)9;1-6-2-3-7-8(10)5-11-9(7)4-6;1-6-2-3-7-5-11-9(10)8(7)4-6;1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7;1-5-2-3-7(9)6(4-5)8(10)11-12;1-6-3-4-7(12-2)5-8(6)13(9,10)11;1-6-4-2-3-5-7(6)11(8,9)10;1-4-2-3-5(7)6(8)9-4;1-5-4-6(7)2-3-8-5;1-5-2-3-6(7)4-8-5;1-5-4-6(7)2-3-8-5;1-5-2-3-8-6(7)4-5;1-5-3-2-4-6(7)8-5;1-3-4(6)2-5(7)8-3;1-4-2-3-5(6)7-4/h2-6H,1H3,(H3,11,12);2-5,11H,1H3;2-5,11H,10H2,1H3;2-4H,5H2,1H3,(H2,10,11);2*2-6,10H,1H3;2-4,12H,1H3,(H2,10,11);3-5H,1-2H3,(H2,9,10,11);2-5H,1H3,(H2,8,9,10);2-3H,1H3,(H2,8,9);2*2-4H,1H3;3*2-4H,1H3,(H2,7,8);2H,1H3;2-3H,1H3.
What are the key properties of 6-chloro-3-methyl-1H-indole;3-chloro-6-methylpyridin-2-amine;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzenesulfonamide;6-methyl-1H-indol-3-amine;5-methyl-1H-indole;6-methyl-1H-indole;1-methylindole-6-carboximidamide;6-methyl-3H-isoindol-1-amine;2-methylpyridin-4-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine?
6-chloro-3-methyl-1H-indole;3-chloro-6-methylpyridin-2-amine;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzenesulfonamide;6-methyl-1H-indol-3-amine;5-methyl-1H-indole;6-methyl-1H-indole;1-methylindole-6-carboximidamide;6-methyl-3H-isoindol-1-amine;2-methylpyridin-4-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine has a molecular weight of 2456.07 g/mol, XLogP of 30.04, 5 rotatable bonds, 16 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methyl-1H-indole;3-chloro-6-methylpyridin-2-amine;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;3,5-dichloro-2-methylthiophene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzenesulfonamide;6-methyl-1H-indol-3-amine;5-methyl-1H-indole;6-methyl-1H-indole;1-methylindole-6-carboximidamide;6-methyl-3H-isoindol-1-amine;2-methylpyridin-4-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine is sourced from PubChem (CID 172972602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).