2-chloro-5-methylpyridine;5-fluoro-3-methyl-1H-indole;2-methoxy-5-methylpyridine;3-methyl-1-azabicyclo[2.2.2]octane;5-methyl-1,2,3-benzothiadiazole;2-methyl-1,3-benzothiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;2-methylimidazo[1,2-a]pyridine;2-methyl-1H-indene;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;2-methylmorpholine;3-methyloxane;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpiperazine;1-methylpiperidine;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;2-methylpyrazine;3-methylpyrazolo[1,5-a]pyridine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;bis(4-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine

C240H280ClFN62O5S3 — CID 158571236

IUPAC2-chloro-5-methylpyridine;5-fluoro-3-methyl-1H-indole;2-methoxy-5-methylpyridine;3-methyl-1-azabicyclo[2.2.2]octane;5-methyl-1,2,3-benzothiadiazole;2-methyl-1,3-benzothiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;2-methylimidazo[1,2-a]pyridine;2-methyl-1H-indene;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;2-methylmorpholine;3-methyloxane;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpiperazine;1-methylpiperidine;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;2-methylpyrazine;3-methylpyrazolo[1,5-a]pyridine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;bis(4-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine
SMILESCC1=Cc2ccccc2C1.CC1CCCOC1.CC1CN2CCC1CC2.CC1CNCCN1.CC1CNCCO1.CN1CCCCC1.COc1ccc(C)cn1.Cc1[nH]cnc1-c1ccccc1.Cc1c[nH]c2ccc(F)cc12.Cc1c[nH]c2ccc(O)cc12.Cc1c[nH]c2ccccc12.Cc1c[nH]c2ncccc12.Cc1ccc(Cl)nc1.Cc1ccc2n[nH]nc2c1.Cc1ccc2snnc2c1.Cc1cccc2n[nH]nc12.Cc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1ccncc1.Cc1ccncc1.Cc1ccncn1.Cc1ccnnc1.Cc1cn2ccccc2n1.Cc1cnc(-c2ccccc2)[nH]1.Cc1cnccn1.Cc1cncnc1.Cc1cnn2ccccc12.Cc1nc(-c2ccccc2)no1.Cc1nc2ccccc2s1.Cc1nc2ncncc2[nH]1.Cc1ncc2[nH]cnc2n1.Cc1ncccn1.Cc1ncnc2nc[nH]c12.Cc1ncnc2scnc12
InChIInChI=1S/2C10H10N2.C10H10.C9H8FN.C9H8N2O.C9H9NO.C9H9N.3C8H8N2.C8H7NS.C8H15N.2C7H7N3.C7H6N2S.C7H9NO.C6H6ClN.3C6H6N4.C6H5N3S.3C6H7N.C6H13N.C6H7N.C6H12O.C5H6N2.C5H12N2.5C5H6N2.C5H11NO/c1-8-10(12-7-11-8)9-5-3-2-4-6-9;1-8-7-11-10(12-8)9-5-3-2-4-6-9;1-8-6-9-4-2-3-5-10(9)7-8;1-6-5-11-9-3-2-7(10)4-8(6)9;1-7-10-9(11-12-7)8-5-3-2-4-6-8;1-6-5-10-9-3-2-7(11)4-8(6)9;1-7-6-10-9-5-3-2-4-8(7)9;1-6-5-10-8-7(6)3-2-4-9-8;1-7-6-10-5-3-2-4-8(10)9-7;1-7-6-9-10-5-3-2-4-8(7)10;1-6-9-7-4-2-3-5-8(7)10-6;1-7-6-9-4-2-8(7)3-5-9;1-5-2-3-6-7(4-5)9-10-8-6;1-5-3-2-4-6-7(5)9-10-8-6;1-5-2-3-7-6(4-5)8-9-10-7;1-6-3-4-7(9-2)8-5-6;1-5-2-3-6(7)8-4-5;1-4-5-6(9-2-7-4)10-3-8-5;1-4-7-2-5-6(10-4)9-3-8-5;1-4-9-5-2-7-3-8-6(5)10-4;1-4-5-6(8-2-7-4)10-3-9-5;2*1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6;1-6-3-2-4-7-5-6;1-5-2-6-4-7-3-5;2*1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-2-3-6-7-4-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;1-5-4-6-2-3-7-5/h2*2-7H,1H3,(H,11,12);2-6H,7H2,1H3;2-5,11H,1H3;2-6H,1H3;2-5,10-11H,1H3;2-6,10H,1H3;2-5H,1H3,(H,9,10);2*2-6H,1H3;2-5H,1H3;7-8H,2-6H2,1H3;2*2-4H,1H3,(H,8,9,10);2-4H,1H3;3-5H,1-2H3;2-4H,1H3;3*2-3H,1H3,(H,7,8,9,10);2-3H,1H3;3*2-5H,1H3;2-6H2,1H3;2-5H,1H3;6H,2-5H2,1H3;2-4H,1H3;5-7H,2-4H2,1H3;5*2-4H,1H3;5-6H,2-4H2,1H3
InChIKeyHSCIXADSWIESQY-UHFFFAOYSA-N
MW4263.96 g/mol
LogP49.57
Rot. Bonds4

About 2-chloro-5-methylpyridine;5-fluoro-3-methyl-1H-indole;2-methoxy-5-methylpyridine;3-methyl-1-azabicyclo[2.2.2]octane;5-methyl-1,2,3-benzothiadiazole;2-methyl-1,3-benzothiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;2-methylimidazo[1,2-a]pyridine;2-methyl-1H-indene;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;2-methylmorpholine;3-methyloxane;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpiperazine;1-methylpiperidine;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;2-methylpyrazine;3-methylpyrazolo[1,5-a]pyridine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;bis(4-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine

2-chloro-5-methylpyridine;5-fluoro-3-methyl-1H-indole;2-methoxy-5-methylpyridine;3-methyl-1-azabicyclo[2.2.2]octane;5-methyl-1,2,3-benzothiadiazole;2-methyl-1,3-benzothiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;2-methylimidazo[1,2-a]pyridine;2-methyl-1H-indene;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;2-methylmorpholine;3-methyloxane;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpiperazine;1-methylpiperidine;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;2-methylpyrazine;3-methylpyrazolo[1,5-a]pyridine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;bis(4-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine (PubChem CID 158571236) has the molecular formula C240H280ClFN62O5S3 and a molecular weight of 4263.96 g/mol. Its IUPAC name is 2-chloro-5-methylpyridine;5-fluoro-3-methyl-1H-indole;2-methoxy-5-methylpyridine;3-methyl-1-azabicyclo[2.2.2]octane;5-methyl-1,2,3-benzothiadiazole;2-methyl-1,3-benzothiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;2-methylimidazo[1,2-a]pyridine;2-methyl-1H-indene;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;2-methylmorpholine;3-methyloxane;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpiperazine;1-methylpiperidine;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;2-methylpyrazine;3-methylpyrazolo[1,5-a]pyridine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;bis(4-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-5-methylpyridine;5-fluoro-3-methyl-1H-indole;2-methoxy-5-methylpyridine;3-methyl-1-azabicyclo[2.2.2]octane;5-methyl-1,2,3-benzothiadiazole;2-methyl-1,3-benzothiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;2-methylimidazo[1,2-a]pyridine;2-methyl-1H-indene;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;2-methylmorpholine;3-methyloxane;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpiperazine;1-methylpiperidine;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;2-methylpyrazine;3-methylpyrazolo[1,5-a]pyridine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;bis(4-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine
PubChem CID158571236
Molecular FormulaC240H280ClFN62O5S3
Molecular Weight4263.96 g/mol
Exact Mass4260.24
IUPAC Name2-chloro-5-methylpyridine;5-fluoro-3-methyl-1H-indole;2-methoxy-5-methylpyridine;3-methyl-1-azabicyclo[2.2.2]octane;5-methyl-1,2,3-benzothiadiazole;2-methyl-1,3-benzothiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;2-methylimidazo[1,2-a]pyridine;2-methyl-1H-indene;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;2-methylmorpholine;3-methyloxane;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpiperazine;1-methylpiperidine;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;2-methylpyrazine;3-methylpyrazolo[1,5-a]pyridine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;bis(4-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine
SMILESCC1=Cc2ccccc2C1.CC1CCCOC1.CC1CN2CCC1CC2.CC1CNCCN1.CC1CNCCO1.CN1CCCCC1.COc1ccc(C)cn1.Cc1[nH]cnc1-c1ccccc1.Cc1c[nH]c2ccc(F)cc12.Cc1c[nH]c2ccc(O)cc12.Cc1c[nH]c2ccccc12.Cc1c[nH]c2ncccc12.Cc1ccc(Cl)nc1.Cc1ccc2n[nH]nc2c1.Cc1ccc2snnc2c1.Cc1cccc2n[nH]nc12.Cc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1ccncc1.Cc1ccncc1.Cc1ccncn1.Cc1ccnnc1.Cc1cn2ccccc2n1.Cc1cnc(-c2ccccc2)[nH]1.Cc1cnccn1.Cc1cncnc1.Cc1cnn2ccccc12.Cc1nc(-c2ccccc2)no1.Cc1nc2ccccc2s1.Cc1nc2ncncc2[nH]1.Cc1ncc2[nH]cnc2n1.Cc1ncccn1.Cc1ncnc2nc[nH]c12.Cc1ncnc2scnc12
InChIInChI=1S/2C10H10N2.C10H10.C9H8FN.C9H8N2O.C9H9NO.C9H9N.3C8H8N2.C8H7NS.C8H15N.2C7H7N3.C7H6N2S.C7H9NO.C6H6ClN.3C6H6N4.C6H5N3S.3C6H7N.C6H13N.C6H7N.C6H12O.C5H6N2.C5H12N2.5C5H6N2.C5H11NO/c1-8-10(12-7-11-8)9-5-3-2-4-6-9;1-8-7-11-10(12-8)9-5-3-2-4-6-9;1-8-6-9-4-2-3-5-10(9)7-8;1-6-5-11-9-3-2-7(10)4-8(6)9;1-7-10-9(11-12-7)8-5-3-2-4-6-8;1-6-5-10-9-3-2-7(11)4-8(6)9;1-7-6-10-9-5-3-2-4-8(7)9;1-6-5-10-8-7(6)3-2-4-9-8;1-7-6-10-5-3-2-4-8(10)9-7;1-7-6-9-10-5-3-2-4-8(7)10;1-6-9-7-4-2-3-5-8(7)10-6;1-7-6-9-4-2-8(7)3-5-9;1-5-2-3-6-7(4-5)9-10-8-6;1-5-3-2-4-6-7(5)9-10-8-6;1-5-2-3-7-6(4-5)8-9-10-7;1-6-3-4-7(9-2)8-5-6;1-5-2-3-6(7)8-4-5;1-4-5-6(9-2-7-4)10-3-8-5;1-4-7-2-5-6(10-4)9-3-8-5;1-4-9-5-2-7-3-8-6(5)10-4;1-4-5-6(8-2-7-4)10-3-9-5;2*1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6;1-6-3-2-4-7-5-6;1-5-2-6-4-7-3-5;2*1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-2-3-6-7-4-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;1-5-4-6-2-3-7-5/h2*2-7H,1H3,(H,11,12);2-6H,7H2,1H3;2-5,11H,1H3;2-6H,1H3;2-5,10-11H,1H3;2-6,10H,1H3;2-5H,1H3,(H,9,10);2*2-6H,1H3;2-5H,1H3;7-8H,2-6H2,1H3;2*2-4H,1H3,(H,8,9,10);2-4H,1H3;3-5H,1-2H3;2-4H,1H3;3*2-3H,1H3,(H,7,8,9,10);2-3H,1H3;3*2-5H,1H3;2-6H2,1H3;2-5H,1H3;6H,2-5H2,1H3;2-4H,1H3;5-7H,2-4H2,1H3;5*2-4H,1H3;5-6H,2-4H2,1H3
InChIKeyHSCIXADSWIESQY-UHFFFAOYSA-N
XLogP49.57
TPSA853.30 Ų
H-Bond Donors15
H-Bond Acceptors59
Rotatable Bonds4
Heavy Atoms312
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004263.96
LogP ≤ 549.57
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1059

Analyze 2-chloro-5-methylpyridine;5-fluoro-3-methyl-1H-indole;2-methoxy-5-methylpyridine;3-methyl-1-azabicyclo[2.2.2]octane;5-methyl-1,2,3-benzothiadiazole;2-methyl-1,3-benzothiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;2-methylimidazo[1,2-a]pyridine;2-methyl-1H-indene;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;2-methylmorpholine;3-methyloxane;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpiperazine;1-methylpiperidine;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;2-methylpyrazine;3-methylpyrazolo[1,5-a]pyridine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;bis(4-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylpyridine;5-fluoro-3-methyl-1H-indole;2-methoxy-5-methylpyridine;3-methyl-1-azabicyclo[2.2.2]octane;5-methyl-1,2,3-benzothiadiazole;2-methyl-1,3-benzothiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;2-methylimidazo[1,2-a]pyridine;2-methyl-1H-indene;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;2-methylmorpholine;3-methyloxane;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpiperazine;1-methylpiperidine;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;2-methylpyrazine;3-methylpyrazolo[1,5-a]pyridine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;bis(4-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine?
The IUPAC name of 2-chloro-5-methylpyridine;5-fluoro-3-methyl-1H-indole;2-methoxy-5-methylpyridine;3-methyl-1-azabicyclo[2.2.2]octane;5-methyl-1,2,3-benzothiadiazole;2-methyl-1,3-benzothiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;2-methylimidazo[1,2-a]pyridine;2-methyl-1H-indene;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;2-methylmorpholine;3-methyloxane;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpiperazine;1-methylpiperidine;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;2-methylpyrazine;3-methylpyrazolo[1,5-a]pyridine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;bis(4-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine (CID 158571236) is 2-chloro-5-methylpyridine;5-fluoro-3-methyl-1H-indole;2-methoxy-5-methylpyridine;3-methyl-1-azabicyclo[2.2.2]octane;5-methyl-1,2,3-benzothiadiazole;2-methyl-1,3-benzothiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;2-methylimidazo[1,2-a]pyridine;2-methyl-1H-indene;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;2-methylmorpholine;3-methyloxane;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpiperazine;1-methylpiperidine;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;2-methylpyrazine;3-methylpyrazolo[1,5-a]pyridine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;bis(4-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine.
What is the SMILES notation for 2-chloro-5-methylpyridine;5-fluoro-3-methyl-1H-indole;2-methoxy-5-methylpyridine;3-methyl-1-azabicyclo[2.2.2]octane;5-methyl-1,2,3-benzothiadiazole;2-methyl-1,3-benzothiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;2-methylimidazo[1,2-a]pyridine;2-methyl-1H-indene;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;2-methylmorpholine;3-methyloxane;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpiperazine;1-methylpiperidine;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;2-methylpyrazine;3-methylpyrazolo[1,5-a]pyridine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;bis(4-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine?
The canonical SMILES for 2-chloro-5-methylpyridine;5-fluoro-3-methyl-1H-indole;2-methoxy-5-methylpyridine;3-methyl-1-azabicyclo[2.2.2]octane;5-methyl-1,2,3-benzothiadiazole;2-methyl-1,3-benzothiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;2-methylimidazo[1,2-a]pyridine;2-methyl-1H-indene;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;2-methylmorpholine;3-methyloxane;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpiperazine;1-methylpiperidine;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;2-methylpyrazine;3-methylpyrazolo[1,5-a]pyridine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;bis(4-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine is CC1=Cc2ccccc2C1.CC1CCCOC1.CC1CN2CCC1CC2.CC1CNCCN1.CC1CNCCO1.CN1CCCCC1.COc1ccc(C)cn1.Cc1[nH]cnc1-c1ccccc1.Cc1c[nH]c2ccc(F)cc12.Cc1c[nH]c2ccc(O)cc12.Cc1c[nH]c2ccccc12.Cc1c[nH]c2ncccc12.Cc1ccc(Cl)nc1.Cc1ccc2n[nH]nc2c1.Cc1ccc2snnc2c1.Cc1cccc2n[nH]nc12.Cc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1ccncc1.Cc1ccncc1.Cc1ccncn1.Cc1ccnnc1.Cc1cn2ccccc2n1.Cc1cnc(-c2ccccc2)[nH]1.Cc1cnccn1.Cc1cncnc1.Cc1cnn2ccccc12.Cc1nc(-c2ccccc2)no1.Cc1nc2ccccc2s1.Cc1nc2ncncc2[nH]1.Cc1ncc2[nH]cnc2n1.Cc1ncccn1.Cc1ncnc2nc[nH]c12.Cc1ncnc2scnc12.
What is the InChIKey of 2-chloro-5-methylpyridine;5-fluoro-3-methyl-1H-indole;2-methoxy-5-methylpyridine;3-methyl-1-azabicyclo[2.2.2]octane;5-methyl-1,2,3-benzothiadiazole;2-methyl-1,3-benzothiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;2-methylimidazo[1,2-a]pyridine;2-methyl-1H-indene;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;2-methylmorpholine;3-methyloxane;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpiperazine;1-methylpiperidine;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;2-methylpyrazine;3-methylpyrazolo[1,5-a]pyridine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;bis(4-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine?
The InChIKey is HSCIXADSWIESQY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H10N2.C10H10.C9H8FN.C9H8N2O.C9H9NO.C9H9N.3C8H8N2.C8H7NS.C8H15N.2C7H7N3.C7H6N2S.C7H9NO.C6H6ClN.3C6H6N4.C6H5N3S.3C6H7N.C6H13N.C6H7N.C6H12O.C5H6N2.C5H12N2.5C5H6N2.C5H11NO/c1-8-10(12-7-11-8)9-5-3-2-4-6-9;1-8-7-11-10(12-8)9-5-3-2-4-6-9;1-8-6-9-4-2-3-5-10(9)7-8;1-6-5-11-9-3-2-7(10)4-8(6)9;1-7-10-9(11-12-7)8-5-3-2-4-6-8;1-6-5-10-9-3-2-7(11)4-8(6)9;1-7-6-10-9-5-3-2-4-8(7)9;1-6-5-10-8-7(6)3-2-4-9-8;1-7-6-10-5-3-2-4-8(10)9-7;1-7-6-9-10-5-3-2-4-8(7)10;1-6-9-7-4-2-3-5-8(7)10-6;1-7-6-9-4-2-8(7)3-5-9;1-5-2-3-6-7(4-5)9-10-8-6;1-5-3-2-4-6-7(5)9-10-8-6;1-5-2-3-7-6(4-5)8-9-10-7;1-6-3-4-7(9-2)8-5-6;1-5-2-3-6(7)8-4-5;1-4-5-6(9-2-7-4)10-3-8-5;1-4-7-2-5-6(10-4)9-3-8-5;1-4-9-5-2-7-3-8-6(5)10-4;1-4-5-6(8-2-7-4)10-3-9-5;2*1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6;1-6-3-2-4-7-5-6;1-5-2-6-4-7-3-5;2*1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-2-3-6-7-4-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;1-5-4-6-2-3-7-5/h2*2-7H,1H3,(H,11,12);2-6H,7H2,1H3;2-5,11H,1H3;2-6H,1H3;2-5,10-11H,1H3;2-6,10H,1H3;2-5H,1H3,(H,9,10);2*2-6H,1H3;2-5H,1H3;7-8H,2-6H2,1H3;2*2-4H,1H3,(H,8,9,10);2-4H,1H3;3-5H,1-2H3;2-4H,1H3;3*2-3H,1H3,(H,7,8,9,10);2-3H,1H3;3*2-5H,1H3;2-6H2,1H3;2-5H,1H3;6H,2-5H2,1H3;2-4H,1H3;5-7H,2-4H2,1H3;5*2-4H,1H3;5-6H,2-4H2,1H3.
What are the key properties of 2-chloro-5-methylpyridine;5-fluoro-3-methyl-1H-indole;2-methoxy-5-methylpyridine;3-methyl-1-azabicyclo[2.2.2]octane;5-methyl-1,2,3-benzothiadiazole;2-methyl-1,3-benzothiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;2-methylimidazo[1,2-a]pyridine;2-methyl-1H-indene;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;2-methylmorpholine;3-methyloxane;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpiperazine;1-methylpiperidine;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;2-methylpyrazine;3-methylpyrazolo[1,5-a]pyridine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;bis(4-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine?
2-chloro-5-methylpyridine;5-fluoro-3-methyl-1H-indole;2-methoxy-5-methylpyridine;3-methyl-1-azabicyclo[2.2.2]octane;5-methyl-1,2,3-benzothiadiazole;2-methyl-1,3-benzothiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;2-methylimidazo[1,2-a]pyridine;2-methyl-1H-indene;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;2-methylmorpholine;3-methyloxane;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpiperazine;1-methylpiperidine;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;2-methylpyrazine;3-methylpyrazolo[1,5-a]pyridine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;bis(4-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine has a molecular weight of 4263.96 g/mol, XLogP of 49.57, 4 rotatable bonds, 15 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methylpyridine;5-fluoro-3-methyl-1H-indole;2-methoxy-5-methylpyridine;3-methyl-1-azabicyclo[2.2.2]octane;5-methyl-1,2,3-benzothiadiazole;2-methyl-1,3-benzothiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;2-methylimidazo[1,2-a]pyridine;2-methyl-1H-indene;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;2-methylmorpholine;3-methyloxane;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpiperazine;1-methylpiperidine;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;2-methylpyrazine;3-methylpyrazolo[1,5-a]pyridine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;bis(4-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine is sourced from PubChem (CID 158571236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).