3-(difluoromethoxy)pyridine;1,4-dimethylindazole;1,6-dimethylindazole;N,N-dimethylpyridin-2-amine;5-fluoropyrimidine;3-methoxypyridazine;bis(2-methoxypyridine);3-methoxypyridine;2-methoxypyrimidine;bis(1-methylbenzimidazole);bis(1-methylindazole);1-methylindole;2-methylpyridine;2-methylpyrimidine;methylsulfonylbenzene;pyrazine;tris(pyridine);3-(trifluoromethoxy)benzonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine

C161H164F12N36O9S — CID 158556853

IUPAC3-(difluoromethoxy)pyridine;1,4-dimethylindazole;1,6-dimethylindazole;N,N-dimethylpyridin-2-amine;5-fluoropyrimidine;3-methoxypyridazine;bis(2-methoxypyridine);3-methoxypyridine;2-methoxypyrimidine;bis(1-methylbenzimidazole);bis(1-methylindazole);1-methylindole;2-methylpyridine;2-methylpyrimidine;methylsulfonylbenzene;pyrazine;tris(pyridine);3-(trifluoromethoxy)benzonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine
SMILESCN(C)c1ccccn1.COc1ccccn1.COc1ccccn1.COc1cccnc1.COc1cccnn1.COc1ncccn1.CS(=O)(=O)c1ccccc1.Cc1ccc2cnn(C)c2c1.Cc1cccc2c1cnn2C.Cc1ccccn1.Cc1ncccn1.Cn1ccc2ccccc21.Cn1cnc2ccccc21.Cn1cnc2ccccc21.Cn1ncc2ccccc21.Cn1ncc2ccccc21.FC(F)(F)c1ccccn1.FC(F)(F)c1cccnc1.FC(F)Oc1cccnc1.Fc1cncnc1.N#Cc1cccc(OC(F)(F)F)c1.c1ccncc1.c1ccncc1.c1ccncc1.c1cnccn1
InChIInChI=1S/2C9H10N2.C9H9N.C8H4F3NO.4C8H8N2.C7H10N2.C7H8O2S.2C6H4F3N.C6H5F2NO.3C6H7NO.C6H7N.2C5H6N2O.C5H6N2.3C5H5N.C4H3FN2.C4H4N2/c1-7-3-4-8-6-10-11(2)9(8)5-7;1-7-4-3-5-9-8(7)6-10-11(9)2;1-10-7-6-8-4-2-3-5-9(8)10;9-8(10,11)13-7-3-1-2-6(4-7)5-12;2*1-10-6-9-7-4-2-3-5-8(7)10;2*1-10-8-5-3-2-4-7(8)6-9-10;1-9(2)7-5-3-4-6-8-7;1-10(8,9)7-5-3-2-4-6-7;7-6(8,9)5-2-1-3-10-4-5;7-6(8,9)5-3-1-2-4-10-5;7-6(8)10-5-2-1-3-9-4-5;1-8-6-3-2-4-7-5-6;2*1-8-6-4-2-3-5-7-6;1-6-4-2-3-5-7-6;1-8-5-6-3-2-4-7-5;1-8-5-3-2-4-6-7-5;1-5-6-3-2-4-7-5;3*1-2-4-6-5-3-1;5-4-1-6-3-7-2-4;1-2-6-4-3-5-1/h2*3-6H,1-2H3;2-7H,1H3;1-4H;4*2-6H,1H3;3-6H,1-2H3;2-6H,1H3;2*1-4H;1-4,6H;3*2-5H,1H3;2-5H,1H3;2*2-4H,1H3;2-4H,1H3;3*1-5H;1-3H;1-4H
InChIKeyHQKAZXNVAPTWHL-UHFFFAOYSA-N
MW3007.37 g/mol
LogP33.57
Rot. Bonds10

About 3-(difluoromethoxy)pyridine;1,4-dimethylindazole;1,6-dimethylindazole;N,N-dimethylpyridin-2-amine;5-fluoropyrimidine;3-methoxypyridazine;bis(2-methoxypyridine);3-methoxypyridine;2-methoxypyrimidine;bis(1-methylbenzimidazole);bis(1-methylindazole);1-methylindole;2-methylpyridine;2-methylpyrimidine;methylsulfonylbenzene;pyrazine;tris(pyridine);3-(trifluoromethoxy)benzonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine

3-(difluoromethoxy)pyridine;1,4-dimethylindazole;1,6-dimethylindazole;N,N-dimethylpyridin-2-amine;5-fluoropyrimidine;3-methoxypyridazine;bis(2-methoxypyridine);3-methoxypyridine;2-methoxypyrimidine;bis(1-methylbenzimidazole);bis(1-methylindazole);1-methylindole;2-methylpyridine;2-methylpyrimidine;methylsulfonylbenzene;pyrazine;tris(pyridine);3-(trifluoromethoxy)benzonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine (PubChem CID 158556853) has the molecular formula C161H164F12N36O9S and a molecular weight of 3007.37 g/mol. Its IUPAC name is 3-(difluoromethoxy)pyridine;1,4-dimethylindazole;1,6-dimethylindazole;N,N-dimethylpyridin-2-amine;5-fluoropyrimidine;3-methoxypyridazine;bis(2-methoxypyridine);3-methoxypyridine;2-methoxypyrimidine;bis(1-methylbenzimidazole);bis(1-methylindazole);1-methylindole;2-methylpyridine;2-methylpyrimidine;methylsulfonylbenzene;pyrazine;tris(pyridine);3-(trifluoromethoxy)benzonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-(difluoromethoxy)pyridine;1,4-dimethylindazole;1,6-dimethylindazole;N,N-dimethylpyridin-2-amine;5-fluoropyrimidine;3-methoxypyridazine;bis(2-methoxypyridine);3-methoxypyridine;2-methoxypyrimidine;bis(1-methylbenzimidazole);bis(1-methylindazole);1-methylindole;2-methylpyridine;2-methylpyrimidine;methylsulfonylbenzene;pyrazine;tris(pyridine);3-(trifluoromethoxy)benzonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine
PubChem CID158556853
Molecular FormulaC161H164F12N36O9S
Molecular Weight3007.37 g/mol
Exact Mass3005.30
IUPAC Name3-(difluoromethoxy)pyridine;1,4-dimethylindazole;1,6-dimethylindazole;N,N-dimethylpyridin-2-amine;5-fluoropyrimidine;3-methoxypyridazine;bis(2-methoxypyridine);3-methoxypyridine;2-methoxypyrimidine;bis(1-methylbenzimidazole);bis(1-methylindazole);1-methylindole;2-methylpyridine;2-methylpyrimidine;methylsulfonylbenzene;pyrazine;tris(pyridine);3-(trifluoromethoxy)benzonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine
SMILESCN(C)c1ccccn1.COc1ccccn1.COc1ccccn1.COc1cccnc1.COc1cccnn1.COc1ncccn1.CS(=O)(=O)c1ccccc1.Cc1ccc2cnn(C)c2c1.Cc1cccc2c1cnn2C.Cc1ccccn1.Cc1ncccn1.Cn1ccc2ccccc21.Cn1cnc2ccccc21.Cn1cnc2ccccc21.Cn1ncc2ccccc21.Cn1ncc2ccccc21.FC(F)(F)c1ccccn1.FC(F)(F)c1cccnc1.FC(F)Oc1cccnc1.Fc1cncnc1.N#Cc1cccc(OC(F)(F)F)c1.c1ccncc1.c1ccncc1.c1ccncc1.c1cnccn1
InChIInChI=1S/2C9H10N2.C9H9N.C8H4F3NO.4C8H8N2.C7H10N2.C7H8O2S.2C6H4F3N.C6H5F2NO.3C6H7NO.C6H7N.2C5H6N2O.C5H6N2.3C5H5N.C4H3FN2.C4H4N2/c1-7-3-4-8-6-10-11(2)9(8)5-7;1-7-4-3-5-9-8(7)6-10-11(9)2;1-10-7-6-8-4-2-3-5-9(8)10;9-8(10,11)13-7-3-1-2-6(4-7)5-12;2*1-10-6-9-7-4-2-3-5-8(7)10;2*1-10-8-5-3-2-4-7(8)6-9-10;1-9(2)7-5-3-4-6-8-7;1-10(8,9)7-5-3-2-4-6-7;7-6(8,9)5-2-1-3-10-4-5;7-6(8,9)5-3-1-2-4-10-5;7-6(8)10-5-2-1-3-9-4-5;1-8-6-3-2-4-7-5-6;2*1-8-6-4-2-3-5-7-6;1-6-4-2-3-5-7-6;1-8-5-6-3-2-4-7-5;1-8-5-3-2-4-6-7-5;1-5-6-3-2-4-7-5;3*1-2-4-6-5-3-1;5-4-1-6-3-7-2-4;1-2-6-4-3-5-1/h2*3-6H,1-2H3;2-7H,1H3;1-4H;4*2-6H,1H3;3-6H,1-2H3;2-6H,1H3;2*1-4H;1-4,6H;3*2-5H,1H3;2-5H,1H3;2*2-4H,1H3;2-4H,1H3;3*1-5H;1-3H;1-4H
InChIKeyHQKAZXNVAPTWHL-UHFFFAOYSA-N
XLogP33.57
TPSA508.32 Ų
H-Bond Donors
H-Bond Acceptors45
Rotatable Bonds10
Heavy Atoms219
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003007.37
LogP ≤ 533.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1045

Analyze 3-(difluoromethoxy)pyridine;1,4-dimethylindazole;1,6-dimethylindazole;N,N-dimethylpyridin-2-amine;5-fluoropyrimidine;3-methoxypyridazine;bis(2-methoxypyridine);3-methoxypyridine;2-methoxypyrimidine;bis(1-methylbenzimidazole);bis(1-methylindazole);1-methylindole;2-methylpyridine;2-methylpyrimidine;methylsulfonylbenzene;pyrazine;tris(pyridine);3-(trifluoromethoxy)benzonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)pyridine;1,4-dimethylindazole;1,6-dimethylindazole;N,N-dimethylpyridin-2-amine;5-fluoropyrimidine;3-methoxypyridazine;bis(2-methoxypyridine);3-methoxypyridine;2-methoxypyrimidine;bis(1-methylbenzimidazole);bis(1-methylindazole);1-methylindole;2-methylpyridine;2-methylpyrimidine;methylsulfonylbenzene;pyrazine;tris(pyridine);3-(trifluoromethoxy)benzonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine?
The IUPAC name of 3-(difluoromethoxy)pyridine;1,4-dimethylindazole;1,6-dimethylindazole;N,N-dimethylpyridin-2-amine;5-fluoropyrimidine;3-methoxypyridazine;bis(2-methoxypyridine);3-methoxypyridine;2-methoxypyrimidine;bis(1-methylbenzimidazole);bis(1-methylindazole);1-methylindole;2-methylpyridine;2-methylpyrimidine;methylsulfonylbenzene;pyrazine;tris(pyridine);3-(trifluoromethoxy)benzonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine (CID 158556853) is 3-(difluoromethoxy)pyridine;1,4-dimethylindazole;1,6-dimethylindazole;N,N-dimethylpyridin-2-amine;5-fluoropyrimidine;3-methoxypyridazine;bis(2-methoxypyridine);3-methoxypyridine;2-methoxypyrimidine;bis(1-methylbenzimidazole);bis(1-methylindazole);1-methylindole;2-methylpyridine;2-methylpyrimidine;methylsulfonylbenzene;pyrazine;tris(pyridine);3-(trifluoromethoxy)benzonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-(difluoromethoxy)pyridine;1,4-dimethylindazole;1,6-dimethylindazole;N,N-dimethylpyridin-2-amine;5-fluoropyrimidine;3-methoxypyridazine;bis(2-methoxypyridine);3-methoxypyridine;2-methoxypyrimidine;bis(1-methylbenzimidazole);bis(1-methylindazole);1-methylindole;2-methylpyridine;2-methylpyrimidine;methylsulfonylbenzene;pyrazine;tris(pyridine);3-(trifluoromethoxy)benzonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine?
The canonical SMILES for 3-(difluoromethoxy)pyridine;1,4-dimethylindazole;1,6-dimethylindazole;N,N-dimethylpyridin-2-amine;5-fluoropyrimidine;3-methoxypyridazine;bis(2-methoxypyridine);3-methoxypyridine;2-methoxypyrimidine;bis(1-methylbenzimidazole);bis(1-methylindazole);1-methylindole;2-methylpyridine;2-methylpyrimidine;methylsulfonylbenzene;pyrazine;tris(pyridine);3-(trifluoromethoxy)benzonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine is CN(C)c1ccccn1.COc1ccccn1.COc1ccccn1.COc1cccnc1.COc1cccnn1.COc1ncccn1.CS(=O)(=O)c1ccccc1.Cc1ccc2cnn(C)c2c1.Cc1cccc2c1cnn2C.Cc1ccccn1.Cc1ncccn1.Cn1ccc2ccccc21.Cn1cnc2ccccc21.Cn1cnc2ccccc21.Cn1ncc2ccccc21.Cn1ncc2ccccc21.FC(F)(F)c1ccccn1.FC(F)(F)c1cccnc1.FC(F)Oc1cccnc1.Fc1cncnc1.N#Cc1cccc(OC(F)(F)F)c1.c1ccncc1.c1ccncc1.c1ccncc1.c1cnccn1.
What is the InChIKey of 3-(difluoromethoxy)pyridine;1,4-dimethylindazole;1,6-dimethylindazole;N,N-dimethylpyridin-2-amine;5-fluoropyrimidine;3-methoxypyridazine;bis(2-methoxypyridine);3-methoxypyridine;2-methoxypyrimidine;bis(1-methylbenzimidazole);bis(1-methylindazole);1-methylindole;2-methylpyridine;2-methylpyrimidine;methylsulfonylbenzene;pyrazine;tris(pyridine);3-(trifluoromethoxy)benzonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine?
The InChIKey is HQKAZXNVAPTWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H10N2.C9H9N.C8H4F3NO.4C8H8N2.C7H10N2.C7H8O2S.2C6H4F3N.C6H5F2NO.3C6H7NO.C6H7N.2C5H6N2O.C5H6N2.3C5H5N.C4H3FN2.C4H4N2/c1-7-3-4-8-6-10-11(2)9(8)5-7;1-7-4-3-5-9-8(7)6-10-11(9)2;1-10-7-6-8-4-2-3-5-9(8)10;9-8(10,11)13-7-3-1-2-6(4-7)5-12;2*1-10-6-9-7-4-2-3-5-8(7)10;2*1-10-8-5-3-2-4-7(8)6-9-10;1-9(2)7-5-3-4-6-8-7;1-10(8,9)7-5-3-2-4-6-7;7-6(8,9)5-2-1-3-10-4-5;7-6(8,9)5-3-1-2-4-10-5;7-6(8)10-5-2-1-3-9-4-5;1-8-6-3-2-4-7-5-6;2*1-8-6-4-2-3-5-7-6;1-6-4-2-3-5-7-6;1-8-5-6-3-2-4-7-5;1-8-5-3-2-4-6-7-5;1-5-6-3-2-4-7-5;3*1-2-4-6-5-3-1;5-4-1-6-3-7-2-4;1-2-6-4-3-5-1/h2*3-6H,1-2H3;2-7H,1H3;1-4H;4*2-6H,1H3;3-6H,1-2H3;2-6H,1H3;2*1-4H;1-4,6H;3*2-5H,1H3;2-5H,1H3;2*2-4H,1H3;2-4H,1H3;3*1-5H;1-3H;1-4H.
What are the key properties of 3-(difluoromethoxy)pyridine;1,4-dimethylindazole;1,6-dimethylindazole;N,N-dimethylpyridin-2-amine;5-fluoropyrimidine;3-methoxypyridazine;bis(2-methoxypyridine);3-methoxypyridine;2-methoxypyrimidine;bis(1-methylbenzimidazole);bis(1-methylindazole);1-methylindole;2-methylpyridine;2-methylpyrimidine;methylsulfonylbenzene;pyrazine;tris(pyridine);3-(trifluoromethoxy)benzonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine?
3-(difluoromethoxy)pyridine;1,4-dimethylindazole;1,6-dimethylindazole;N,N-dimethylpyridin-2-amine;5-fluoropyrimidine;3-methoxypyridazine;bis(2-methoxypyridine);3-methoxypyridine;2-methoxypyrimidine;bis(1-methylbenzimidazole);bis(1-methylindazole);1-methylindole;2-methylpyridine;2-methylpyrimidine;methylsulfonylbenzene;pyrazine;tris(pyridine);3-(trifluoromethoxy)benzonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine has a molecular weight of 3007.37 g/mol, XLogP of 33.57, 10 rotatable bonds, 0 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)pyridine;1,4-dimethylindazole;1,6-dimethylindazole;N,N-dimethylpyridin-2-amine;5-fluoropyrimidine;3-methoxypyridazine;bis(2-methoxypyridine);3-methoxypyridine;2-methoxypyrimidine;bis(1-methylbenzimidazole);bis(1-methylindazole);1-methylindole;2-methylpyridine;2-methylpyrimidine;methylsulfonylbenzene;pyrazine;tris(pyridine);3-(trifluoromethoxy)benzonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine is sourced from PubChem (CID 158556853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).