2-chloro-4-methylpyridine;2-chloro-6-methylpyridine;N,N-dimethylbutan-1-amine;N,N-dimethylethanamine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;N,N-dimethylpentan-1-amine;1,4-dimethylpiperidine;N,N-dimethylpropan-1-amine;2,5-dimethylpyridine;ethylcyclopropane;(2Z)-2-hydroxyiminopropanenitrile;methoxyethane;methylcyclopropane;4-methyloxane;5-methyl-1,2-oxazole;3-methyloxolane;4-methylpyridazine;3-methyl-1H-pyridazin-6-one;4-methylpyridin-2-amine;5-methylpyridin-2-amine;2-methylpyridine;3-methylpyridine;4-methylpyrimidine;5-methylpyrimidine;5-methyl-1H-pyrimidine-2,4-dione;5-methylpyrrolidin-2-one;5-methyl-1,3-thiazole;3-methyl-5-(trifluoromethyl)pyridine;pentane;propane;toluene;1,1,1-trifluoroethane;1,1,1-trifluoropropane

C177H287Cl2F9N36O10S — CID 172942368

IUPAC2-chloro-4-methylpyridine;2-chloro-6-methylpyridine;N,N-dimethylbutan-1-amine;N,N-dimethylethanamine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;N,N-dimethylpentan-1-amine;1,4-dimethylpiperidine;N,N-dimethylpropan-1-amine;2,5-dimethylpyridine;ethylcyclopropane;(2Z)-2-hydroxyiminopropanenitrile;methoxyethane;methylcyclopropane;4-methyloxane;5-methyl-1,2-oxazole;3-methyloxolane;4-methylpyridazine;3-methyl-1H-pyridazin-6-one;4-methylpyridin-2-amine;5-methylpyridin-2-amine;2-methylpyridine;3-methylpyridine;4-methylpyrimidine;5-methylpyrimidine;5-methyl-1H-pyrimidine-2,4-dione;5-methylpyrrolidin-2-one;5-methyl-1,3-thiazole;3-methyl-5-(trifluoromethyl)pyridine;pentane;propane;toluene;1,1,1-trifluoroethane;1,1,1-trifluoropropane
SMILESC/C(C#N)=N/O.CC(F)(F)F.CC1CC1.CC1CCC(=O)N1.CC1CCN(C)CC1.CC1CCOC1.CC1CCOCC1.CCC.CCC(F)(F)F.CCC1CC1.CCCCC.CCCCCN(C)C.CCCCN(C)C.CCCN(C)C.CCN(C)C.CCOC.Cc1c[nH]c(=O)[nH]c1=O.Cc1ccc(=O)[nH]n1.Cc1ccc(C)nc1.Cc1ccc(N)nc1.Cc1cccc(Cl)n1.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1ccnc(Cl)c1.Cc1ccnc(N)c1.Cc1ccncn1.Cc1ccnnc1.Cc1ccno1.Cc1cn(C)cn1.Cc1cncc(C(F)(F)F)c1.Cc1cncnc1.Cc1cncs1.Cc1nccn1C.Cc1nnc(C)o1
InChIInChI=1S/C7H6F3N.C7H15N.C7H9N.C7H17N.C7H8.2C6H6ClN.2C6H8N2.2C6H7N.C6H15N.C6H12O.C5H6N2O2.C5H6N2O.C5H8N2.C5H6N2.C5H8N2.2C5H6N2.C5H9NO.C5H13N.C5H10O.C5H10.C5H12.C4H6N2O.C4H5NO.C4H5NS.C4H11N.C4H8.C3H5F3.C3H4N2O.C3H8O.C3H8.C2H3F3/c1-5-2-6(4-11-3-5)7(8,9)10;1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)8-5-6;1-4-5-6-7-8(2)3;1-7-5-3-2-4-6-7;1-5-2-3-8-6(7)4-5;1-5-3-2-4-6(7)8-5;1-5-2-3-8-6(7)4-5;1-5-2-3-6(7)8-4-5;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-4-5-6-7(2)3;1-6-2-4-7-5-3-6;1-3-2-6-5(9)7-4(3)8;1-4-2-3-5(8)7-6-4;1-5-3-7(2)4-6-5;1-5-2-6-4-7-3-5;1-5-6-3-4-7(5)2;1-5-2-3-6-4-7-5;1-5-2-3-6-7-4-5;1-4-2-3-5(7)6-4;1-4-5-6(2)3;1-5-2-3-6-4-5;1-2-5-3-4-5;1-3-5-4-2;1-3-5-6-4(2)7-3;1-4-2-3-5-6-4;1-4-2-5-3-6-4;1-4-5(2)3;1-4-2-3-4;1-2-3(4,5)6;1-3(2-4)5-6;1-3-4-2;1-3-2;1-2(3,4)5/h2-4H,1H3;7H,3-6H2,1-2H3;3-5H,1-2H3;4-7H2,1-3H3;2-6H,1H3;2*2-4H,1H3;2*2-4H,1H3,(H2,7,8);2*2-5H,1H3;4-6H2,1-3H3;6H,2-5H2,1H3;2H,1H3,(H2,6,7,8,9);2-3H,1H3,(H,7,8);3-4H,1-2H3;2-4H,1H3;3-4H,1-2H3;2*2-4H,1H3;4H,2-3H2,1H3,(H,6,7);4-5H2,1-3H3;5H,2-4H2,1H3;5H,2-4H2,1H3;3-5H2,1-2H3;1-2H3;2*2-3H,1H3;4H2,1-3H3;4H,2-3H2,1H3;2H2,1H3;6H,1H3;3H2,1-2H3;3H2,1-2H3;1H3/b;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;5-3-;;;
InChIKeyHPGDBSOGSBURFR-YNMUOZQQSA-N
MW3353.44 g/mol
LogP41.39
Rot. Bonds14

About 2-chloro-4-methylpyridine;2-chloro-6-methylpyridine;N,N-dimethylbutan-1-amine;N,N-dimethylethanamine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;N,N-dimethylpentan-1-amine;1,4-dimethylpiperidine;N,N-dimethylpropan-1-amine;2,5-dimethylpyridine;ethylcyclopropane;(2Z)-2-hydroxyiminopropanenitrile;methoxyethane;methylcyclopropane;4-methyloxane;5-methyl-1,2-oxazole;3-methyloxolane;4-methylpyridazine;3-methyl-1H-pyridazin-6-one;4-methylpyridin-2-amine;5-methylpyridin-2-amine;2-methylpyridine;3-methylpyridine;4-methylpyrimidine;5-methylpyrimidine;5-methyl-1H-pyrimidine-2,4-dione;5-methylpyrrolidin-2-one;5-methyl-1,3-thiazole;3-methyl-5-(trifluoromethyl)pyridine;pentane;propane;toluene;1,1,1-trifluoroethane;1,1,1-trifluoropropane

2-chloro-4-methylpyridine;2-chloro-6-methylpyridine;N,N-dimethylbutan-1-amine;N,N-dimethylethanamine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;N,N-dimethylpentan-1-amine;1,4-dimethylpiperidine;N,N-dimethylpropan-1-amine;2,5-dimethylpyridine;ethylcyclopropane;(2Z)-2-hydroxyiminopropanenitrile;methoxyethane;methylcyclopropane;4-methyloxane;5-methyl-1,2-oxazole;3-methyloxolane;4-methylpyridazine;3-methyl-1H-pyridazin-6-one;4-methylpyridin-2-amine;5-methylpyridin-2-amine;2-methylpyridine;3-methylpyridine;4-methylpyrimidine;5-methylpyrimidine;5-methyl-1H-pyrimidine-2,4-dione;5-methylpyrrolidin-2-one;5-methyl-1,3-thiazole;3-methyl-5-(trifluoromethyl)pyridine;pentane;propane;toluene;1,1,1-trifluoroethane;1,1,1-trifluoropropane (PubChem CID 172942368) has the molecular formula C177H287Cl2F9N36O10S and a molecular weight of 3353.44 g/mol. Its IUPAC name is 2-chloro-4-methylpyridine;2-chloro-6-methylpyridine;N,N-dimethylbutan-1-amine;N,N-dimethylethanamine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;N,N-dimethylpentan-1-amine;1,4-dimethylpiperidine;N,N-dimethylpropan-1-amine;2,5-dimethylpyridine;ethylcyclopropane;(2Z)-2-hydroxyiminopropanenitrile;methoxyethane;methylcyclopropane;4-methyloxane;5-methyl-1,2-oxazole;3-methyloxolane;4-methylpyridazine;3-methyl-1H-pyridazin-6-one;4-methylpyridin-2-amine;5-methylpyridin-2-amine;2-methylpyridine;3-methylpyridine;4-methylpyrimidine;5-methylpyrimidine;5-methyl-1H-pyrimidine-2,4-dione;5-methylpyrrolidin-2-one;5-methyl-1,3-thiazole;3-methyl-5-(trifluoromethyl)pyridine;pentane;propane;toluene;1,1,1-trifluoroethane;1,1,1-trifluoropropane.

Molecular Properties

Compound Name2-chloro-4-methylpyridine;2-chloro-6-methylpyridine;N,N-dimethylbutan-1-amine;N,N-dimethylethanamine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;N,N-dimethylpentan-1-amine;1,4-dimethylpiperidine;N,N-dimethylpropan-1-amine;2,5-dimethylpyridine;ethylcyclopropane;(2Z)-2-hydroxyiminopropanenitrile;methoxyethane;methylcyclopropane;4-methyloxane;5-methyl-1,2-oxazole;3-methyloxolane;4-methylpyridazine;3-methyl-1H-pyridazin-6-one;4-methylpyridin-2-amine;5-methylpyridin-2-amine;2-methylpyridine;3-methylpyridine;4-methylpyrimidine;5-methylpyrimidine;5-methyl-1H-pyrimidine-2,4-dione;5-methylpyrrolidin-2-one;5-methyl-1,3-thiazole;3-methyl-5-(trifluoromethyl)pyridine;pentane;propane;toluene;1,1,1-trifluoroethane;1,1,1-trifluoropropane
PubChem CID172942368
Molecular FormulaC177H287Cl2F9N36O10S
Molecular Weight3353.44 g/mol
Exact Mass3350.20
IUPAC Name2-chloro-4-methylpyridine;2-chloro-6-methylpyridine;N,N-dimethylbutan-1-amine;N,N-dimethylethanamine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;N,N-dimethylpentan-1-amine;1,4-dimethylpiperidine;N,N-dimethylpropan-1-amine;2,5-dimethylpyridine;ethylcyclopropane;(2Z)-2-hydroxyiminopropanenitrile;methoxyethane;methylcyclopropane;4-methyloxane;5-methyl-1,2-oxazole;3-methyloxolane;4-methylpyridazine;3-methyl-1H-pyridazin-6-one;4-methylpyridin-2-amine;5-methylpyridin-2-amine;2-methylpyridine;3-methylpyridine;4-methylpyrimidine;5-methylpyrimidine;5-methyl-1H-pyrimidine-2,4-dione;5-methylpyrrolidin-2-one;5-methyl-1,3-thiazole;3-methyl-5-(trifluoromethyl)pyridine;pentane;propane;toluene;1,1,1-trifluoroethane;1,1,1-trifluoropropane
SMILESC/C(C#N)=N/O.CC(F)(F)F.CC1CC1.CC1CCC(=O)N1.CC1CCN(C)CC1.CC1CCOC1.CC1CCOCC1.CCC.CCC(F)(F)F.CCC1CC1.CCCCC.CCCCCN(C)C.CCCCN(C)C.CCCN(C)C.CCN(C)C.CCOC.Cc1c[nH]c(=O)[nH]c1=O.Cc1ccc(=O)[nH]n1.Cc1ccc(C)nc1.Cc1ccc(N)nc1.Cc1cccc(Cl)n1.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1ccnc(Cl)c1.Cc1ccnc(N)c1.Cc1ccncn1.Cc1ccnnc1.Cc1ccno1.Cc1cn(C)cn1.Cc1cncc(C(F)(F)F)c1.Cc1cncnc1.Cc1cncs1.Cc1nccn1C.Cc1nnc(C)o1
InChIInChI=1S/C7H6F3N.C7H15N.C7H9N.C7H17N.C7H8.2C6H6ClN.2C6H8N2.2C6H7N.C6H15N.C6H12O.C5H6N2O2.C5H6N2O.C5H8N2.C5H6N2.C5H8N2.2C5H6N2.C5H9NO.C5H13N.C5H10O.C5H10.C5H12.C4H6N2O.C4H5NO.C4H5NS.C4H11N.C4H8.C3H5F3.C3H4N2O.C3H8O.C3H8.C2H3F3/c1-5-2-6(4-11-3-5)7(8,9)10;1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)8-5-6;1-4-5-6-7-8(2)3;1-7-5-3-2-4-6-7;1-5-2-3-8-6(7)4-5;1-5-3-2-4-6(7)8-5;1-5-2-3-8-6(7)4-5;1-5-2-3-6(7)8-4-5;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-4-5-6-7(2)3;1-6-2-4-7-5-3-6;1-3-2-6-5(9)7-4(3)8;1-4-2-3-5(8)7-6-4;1-5-3-7(2)4-6-5;1-5-2-6-4-7-3-5;1-5-6-3-4-7(5)2;1-5-2-3-6-4-7-5;1-5-2-3-6-7-4-5;1-4-2-3-5(7)6-4;1-4-5-6(2)3;1-5-2-3-6-4-5;1-2-5-3-4-5;1-3-5-4-2;1-3-5-6-4(2)7-3;1-4-2-3-5-6-4;1-4-2-5-3-6-4;1-4-5(2)3;1-4-2-3-4;1-2-3(4,5)6;1-3(2-4)5-6;1-3-4-2;1-3-2;1-2(3,4)5/h2-4H,1H3;7H,3-6H2,1-2H3;3-5H,1-2H3;4-7H2,1-3H3;2-6H,1H3;2*2-4H,1H3;2*2-4H,1H3,(H2,7,8);2*2-5H,1H3;4-6H2,1-3H3;6H,2-5H2,1H3;2H,1H3,(H2,6,7,8,9);2-3H,1H3,(H,7,8);3-4H,1-2H3;2-4H,1H3;3-4H,1-2H3;2*2-4H,1H3;4H,2-3H2,1H3,(H,6,7);4-5H2,1-3H3;5H,2-4H2,1H3;5H,2-4H2,1H3;3-5H2,1-2H3;1-2H3;2*2-3H,1H3;4H2,1-3H3;4H,2-3H2,1H3;2H2,1H3;6H,1H3;3H2,1-2H3;3H2,1-2H3;1H3/b;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;5-3-;;;
InChIKeyHPGDBSOGSBURFR-YNMUOZQQSA-N
XLogP41.39
TPSA586.82 Ų
H-Bond Donors7
H-Bond Acceptors43
Rotatable Bonds14
Heavy Atoms235
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003353.44
LogP ≤ 541.39
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

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

Analyze 2-chloro-4-methylpyridine;2-chloro-6-methylpyridine;N,N-dimethylbutan-1-amine;N,N-dimethylethanamine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;N,N-dimethylpentan-1-amine;1,4-dimethylpiperidine;N,N-dimethylpropan-1-amine;2,5-dimethylpyridine;ethylcyclopropane;(2Z)-2-hydroxyiminopropanenitrile;methoxyethane;methylcyclopropane;4-methyloxane;5-methyl-1,2-oxazole;3-methyloxolane;4-methylpyridazine;3-methyl-1H-pyridazin-6-one;4-methylpyridin-2-amine;5-methylpyridin-2-amine;2-methylpyridine;3-methylpyridine;4-methylpyrimidine;5-methylpyrimidine;5-methyl-1H-pyrimidine-2,4-dione;5-methylpyrrolidin-2-one;5-methyl-1,3-thiazole;3-methyl-5-(trifluoromethyl)pyridine;pentane;propane;toluene;1,1,1-trifluoroethane;1,1,1-trifluoropropane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methylpyridine;2-chloro-6-methylpyridine;N,N-dimethylbutan-1-amine;N,N-dimethylethanamine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;N,N-dimethylpentan-1-amine;1,4-dimethylpiperidine;N,N-dimethylpropan-1-amine;2,5-dimethylpyridine;ethylcyclopropane;(2Z)-2-hydroxyiminopropanenitrile;methoxyethane;methylcyclopropane;4-methyloxane;5-methyl-1,2-oxazole;3-methyloxolane;4-methylpyridazine;3-methyl-1H-pyridazin-6-one;4-methylpyridin-2-amine;5-methylpyridin-2-amine;2-methylpyridine;3-methylpyridine;4-methylpyrimidine;5-methylpyrimidine;5-methyl-1H-pyrimidine-2,4-dione;5-methylpyrrolidin-2-one;5-methyl-1,3-thiazole;3-methyl-5-(trifluoromethyl)pyridine;pentane;propane;toluene;1,1,1-trifluoroethane;1,1,1-trifluoropropane?
The IUPAC name of 2-chloro-4-methylpyridine;2-chloro-6-methylpyridine;N,N-dimethylbutan-1-amine;N,N-dimethylethanamine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;N,N-dimethylpentan-1-amine;1,4-dimethylpiperidine;N,N-dimethylpropan-1-amine;2,5-dimethylpyridine;ethylcyclopropane;(2Z)-2-hydroxyiminopropanenitrile;methoxyethane;methylcyclopropane;4-methyloxane;5-methyl-1,2-oxazole;3-methyloxolane;4-methylpyridazine;3-methyl-1H-pyridazin-6-one;4-methylpyridin-2-amine;5-methylpyridin-2-amine;2-methylpyridine;3-methylpyridine;4-methylpyrimidine;5-methylpyrimidine;5-methyl-1H-pyrimidine-2,4-dione;5-methylpyrrolidin-2-one;5-methyl-1,3-thiazole;3-methyl-5-(trifluoromethyl)pyridine;pentane;propane;toluene;1,1,1-trifluoroethane;1,1,1-trifluoropropane (CID 172942368) is 2-chloro-4-methylpyridine;2-chloro-6-methylpyridine;N,N-dimethylbutan-1-amine;N,N-dimethylethanamine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;N,N-dimethylpentan-1-amine;1,4-dimethylpiperidine;N,N-dimethylpropan-1-amine;2,5-dimethylpyridine;ethylcyclopropane;(2Z)-2-hydroxyiminopropanenitrile;methoxyethane;methylcyclopropane;4-methyloxane;5-methyl-1,2-oxazole;3-methyloxolane;4-methylpyridazine;3-methyl-1H-pyridazin-6-one;4-methylpyridin-2-amine;5-methylpyridin-2-amine;2-methylpyridine;3-methylpyridine;4-methylpyrimidine;5-methylpyrimidine;5-methyl-1H-pyrimidine-2,4-dione;5-methylpyrrolidin-2-one;5-methyl-1,3-thiazole;3-methyl-5-(trifluoromethyl)pyridine;pentane;propane;toluene;1,1,1-trifluoroethane;1,1,1-trifluoropropane.
What is the SMILES notation for 2-chloro-4-methylpyridine;2-chloro-6-methylpyridine;N,N-dimethylbutan-1-amine;N,N-dimethylethanamine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;N,N-dimethylpentan-1-amine;1,4-dimethylpiperidine;N,N-dimethylpropan-1-amine;2,5-dimethylpyridine;ethylcyclopropane;(2Z)-2-hydroxyiminopropanenitrile;methoxyethane;methylcyclopropane;4-methyloxane;5-methyl-1,2-oxazole;3-methyloxolane;4-methylpyridazine;3-methyl-1H-pyridazin-6-one;4-methylpyridin-2-amine;5-methylpyridin-2-amine;2-methylpyridine;3-methylpyridine;4-methylpyrimidine;5-methylpyrimidine;5-methyl-1H-pyrimidine-2,4-dione;5-methylpyrrolidin-2-one;5-methyl-1,3-thiazole;3-methyl-5-(trifluoromethyl)pyridine;pentane;propane;toluene;1,1,1-trifluoroethane;1,1,1-trifluoropropane?
The canonical SMILES for 2-chloro-4-methylpyridine;2-chloro-6-methylpyridine;N,N-dimethylbutan-1-amine;N,N-dimethylethanamine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;N,N-dimethylpentan-1-amine;1,4-dimethylpiperidine;N,N-dimethylpropan-1-amine;2,5-dimethylpyridine;ethylcyclopropane;(2Z)-2-hydroxyiminopropanenitrile;methoxyethane;methylcyclopropane;4-methyloxane;5-methyl-1,2-oxazole;3-methyloxolane;4-methylpyridazine;3-methyl-1H-pyridazin-6-one;4-methylpyridin-2-amine;5-methylpyridin-2-amine;2-methylpyridine;3-methylpyridine;4-methylpyrimidine;5-methylpyrimidine;5-methyl-1H-pyrimidine-2,4-dione;5-methylpyrrolidin-2-one;5-methyl-1,3-thiazole;3-methyl-5-(trifluoromethyl)pyridine;pentane;propane;toluene;1,1,1-trifluoroethane;1,1,1-trifluoropropane is C/C(C#N)=N/O.CC(F)(F)F.CC1CC1.CC1CCC(=O)N1.CC1CCN(C)CC1.CC1CCOC1.CC1CCOCC1.CCC.CCC(F)(F)F.CCC1CC1.CCCCC.CCCCCN(C)C.CCCCN(C)C.CCCN(C)C.CCN(C)C.CCOC.Cc1c[nH]c(=O)[nH]c1=O.Cc1ccc(=O)[nH]n1.Cc1ccc(C)nc1.Cc1ccc(N)nc1.Cc1cccc(Cl)n1.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1ccnc(Cl)c1.Cc1ccnc(N)c1.Cc1ccncn1.Cc1ccnnc1.Cc1ccno1.Cc1cn(C)cn1.Cc1cncc(C(F)(F)F)c1.Cc1cncnc1.Cc1cncs1.Cc1nccn1C.Cc1nnc(C)o1.
What is the InChIKey of 2-chloro-4-methylpyridine;2-chloro-6-methylpyridine;N,N-dimethylbutan-1-amine;N,N-dimethylethanamine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;N,N-dimethylpentan-1-amine;1,4-dimethylpiperidine;N,N-dimethylpropan-1-amine;2,5-dimethylpyridine;ethylcyclopropane;(2Z)-2-hydroxyiminopropanenitrile;methoxyethane;methylcyclopropane;4-methyloxane;5-methyl-1,2-oxazole;3-methyloxolane;4-methylpyridazine;3-methyl-1H-pyridazin-6-one;4-methylpyridin-2-amine;5-methylpyridin-2-amine;2-methylpyridine;3-methylpyridine;4-methylpyrimidine;5-methylpyrimidine;5-methyl-1H-pyrimidine-2,4-dione;5-methylpyrrolidin-2-one;5-methyl-1,3-thiazole;3-methyl-5-(trifluoromethyl)pyridine;pentane;propane;toluene;1,1,1-trifluoroethane;1,1,1-trifluoropropane?
The InChIKey is HPGDBSOGSBURFR-YNMUOZQQSA-N. The full InChI is InChI=1S/C7H6F3N.C7H15N.C7H9N.C7H17N.C7H8.2C6H6ClN.2C6H8N2.2C6H7N.C6H15N.C6H12O.C5H6N2O2.C5H6N2O.C5H8N2.C5H6N2.C5H8N2.2C5H6N2.C5H9NO.C5H13N.C5H10O.C5H10.C5H12.C4H6N2O.C4H5NO.C4H5NS.C4H11N.C4H8.C3H5F3.C3H4N2O.C3H8O.C3H8.C2H3F3/c1-5-2-6(4-11-3-5)7(8,9)10;1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)8-5-6;1-4-5-6-7-8(2)3;1-7-5-3-2-4-6-7;1-5-2-3-8-6(7)4-5;1-5-3-2-4-6(7)8-5;1-5-2-3-8-6(7)4-5;1-5-2-3-6(7)8-4-5;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-4-5-6-7(2)3;1-6-2-4-7-5-3-6;1-3-2-6-5(9)7-4(3)8;1-4-2-3-5(8)7-6-4;1-5-3-7(2)4-6-5;1-5-2-6-4-7-3-5;1-5-6-3-4-7(5)2;1-5-2-3-6-4-7-5;1-5-2-3-6-7-4-5;1-4-2-3-5(7)6-4;1-4-5-6(2)3;1-5-2-3-6-4-5;1-2-5-3-4-5;1-3-5-4-2;1-3-5-6-4(2)7-3;1-4-2-3-5-6-4;1-4-2-5-3-6-4;1-4-5(2)3;1-4-2-3-4;1-2-3(4,5)6;1-3(2-4)5-6;1-3-4-2;1-3-2;1-2(3,4)5/h2-4H,1H3;7H,3-6H2,1-2H3;3-5H,1-2H3;4-7H2,1-3H3;2-6H,1H3;2*2-4H,1H3;2*2-4H,1H3,(H2,7,8);2*2-5H,1H3;4-6H2,1-3H3;6H,2-5H2,1H3;2H,1H3,(H2,6,7,8,9);2-3H,1H3,(H,7,8);3-4H,1-2H3;2-4H,1H3;3-4H,1-2H3;2*2-4H,1H3;4H,2-3H2,1H3,(H,6,7);4-5H2,1-3H3;5H,2-4H2,1H3;5H,2-4H2,1H3;3-5H2,1-2H3;1-2H3;2*2-3H,1H3;4H2,1-3H3;4H,2-3H2,1H3;2H2,1H3;6H,1H3;3H2,1-2H3;3H2,1-2H3;1H3/b;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;5-3-;;;.
What are the key properties of 2-chloro-4-methylpyridine;2-chloro-6-methylpyridine;N,N-dimethylbutan-1-amine;N,N-dimethylethanamine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;N,N-dimethylpentan-1-amine;1,4-dimethylpiperidine;N,N-dimethylpropan-1-amine;2,5-dimethylpyridine;ethylcyclopropane;(2Z)-2-hydroxyiminopropanenitrile;methoxyethane;methylcyclopropane;4-methyloxane;5-methyl-1,2-oxazole;3-methyloxolane;4-methylpyridazine;3-methyl-1H-pyridazin-6-one;4-methylpyridin-2-amine;5-methylpyridin-2-amine;2-methylpyridine;3-methylpyridine;4-methylpyrimidine;5-methylpyrimidine;5-methyl-1H-pyrimidine-2,4-dione;5-methylpyrrolidin-2-one;5-methyl-1,3-thiazole;3-methyl-5-(trifluoromethyl)pyridine;pentane;propane;toluene;1,1,1-trifluoroethane;1,1,1-trifluoropropane?
2-chloro-4-methylpyridine;2-chloro-6-methylpyridine;N,N-dimethylbutan-1-amine;N,N-dimethylethanamine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;N,N-dimethylpentan-1-amine;1,4-dimethylpiperidine;N,N-dimethylpropan-1-amine;2,5-dimethylpyridine;ethylcyclopropane;(2Z)-2-hydroxyiminopropanenitrile;methoxyethane;methylcyclopropane;4-methyloxane;5-methyl-1,2-oxazole;3-methyloxolane;4-methylpyridazine;3-methyl-1H-pyridazin-6-one;4-methylpyridin-2-amine;5-methylpyridin-2-amine;2-methylpyridine;3-methylpyridine;4-methylpyrimidine;5-methylpyrimidine;5-methyl-1H-pyrimidine-2,4-dione;5-methylpyrrolidin-2-one;5-methyl-1,3-thiazole;3-methyl-5-(trifluoromethyl)pyridine;pentane;propane;toluene;1,1,1-trifluoroethane;1,1,1-trifluoropropane has a molecular weight of 3353.44 g/mol, XLogP of 41.39, 14 rotatable bonds, 7 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methylpyridine;2-chloro-6-methylpyridine;N,N-dimethylbutan-1-amine;N,N-dimethylethanamine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;N,N-dimethylpentan-1-amine;1,4-dimethylpiperidine;N,N-dimethylpropan-1-amine;2,5-dimethylpyridine;ethylcyclopropane;(2Z)-2-hydroxyiminopropanenitrile;methoxyethane;methylcyclopropane;4-methyloxane;5-methyl-1,2-oxazole;3-methyloxolane;4-methylpyridazine;3-methyl-1H-pyridazin-6-one;4-methylpyridin-2-amine;5-methylpyridin-2-amine;2-methylpyridine;3-methylpyridine;4-methylpyrimidine;5-methylpyrimidine;5-methyl-1H-pyrimidine-2,4-dione;5-methylpyrrolidin-2-one;5-methyl-1,3-thiazole;3-methyl-5-(trifluoromethyl)pyridine;pentane;propane;toluene;1,1,1-trifluoroethane;1,1,1-trifluoropropane is sourced from PubChem (CID 172942368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).