3-chloro-4,6-dimethylpyridazine;2-chloro-4,6-dimethylpyridine;2-chloro-4,6-dimethylpyrimidine;2,4-dimethylbenzonitrile;3,5-dimethylbenzonitrile;3,5-dimethyl-1-oxidopyridin-1-ium;3,5-dimethylpyridazine;bis(2,4-dimethylpyridine);bis(4,6-dimethyl-1H-pyridin-2-one);4,6-dimethyl-2H-pyridin-3-one;4,6-dimethylpyrimidine;1-fluoro-2,4-dimethylbenzene;1-fluoro-3,5-dimethylbenzene;methane;3-methoxy-4,6-dimethylpyridazine;2-methoxy-4,6-dimethylpyridine;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine;2,4,6-trimethylpyrimidine;1,3-xylene

C155H202Cl3F2N25O6 — CID 158023656

About 3-chloro-4,6-dimethylpyridazine;2-chloro-4,6-dimethylpyridine;2-chloro-4,6-dimethylpyrimidine;2,4-dimethylbenzonitrile;3,5-dimethylbenzonitrile;3,5-dimethyl-1-oxidopyridin-1-ium;3,5-dimethylpyridazine;bis(2,4-dimethylpyridine);bis(4,6-dimethyl-1H-pyridin-2-one);4,6-dimethyl-2H-pyridin-3-one;4,6-dimethylpyrimidine;1-fluoro-2,4-dimethylbenzene;1-fluoro-3,5-dimethylbenzene;methane;3-methoxy-4,6-dimethylpyridazine;2-methoxy-4,6-dimethylpyridine;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine;2,4,6-trimethylpyrimidine;1,3-xylene

3-chloro-4,6-dimethylpyridazine;2-chloro-4,6-dimethylpyridine;2-chloro-4,6-dimethylpyrimidine;2,4-dimethylbenzonitrile;3,5-dimethylbenzonitrile;3,5-dimethyl-1-oxidopyridin-1-ium;3,5-dimethylpyridazine;bis(2,4-dimethylpyridine);bis(4,6-dimethyl-1H-pyridin-2-one);4,6-dimethyl-2H-pyridin-3-one;4,6-dimethylpyrimidine;1-fluoro-2,4-dimethylbenzene;1-fluoro-3,5-dimethylbenzene;methane;3-methoxy-4,6-dimethylpyridazine;2-methoxy-4,6-dimethylpyridine;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine;2,4,6-trimethylpyrimidine;1,3-xylene (PubChem CID 158023656) has the molecular formula C155H202Cl3F2N25O6 and a molecular weight of 2655.84 g/mol. Its IUPAC name is 3-chloro-4,6-dimethylpyridazine;2-chloro-4,6-dimethylpyridine;2-chloro-4,6-dimethylpyrimidine;2,4-dimethylbenzonitrile;3,5-dimethylbenzonitrile;3,5-dimethyl-1-oxidopyridin-1-ium;3,5-dimethylpyridazine;bis(2,4-dimethylpyridine);bis(4,6-dimethyl-1H-pyridin-2-one);4,6-dimethyl-2H-pyridin-3-one;4,6-dimethylpyrimidine;1-fluoro-2,4-dimethylbenzene;1-fluoro-3,5-dimethylbenzene;methane;3-methoxy-4,6-dimethylpyridazine;2-methoxy-4,6-dimethylpyridine;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine;2,4,6-trimethylpyrimidine;1,3-xylene.

Molecular Properties

• Compound Name: 3-chloro-4,6-dimethylpyridazine;2-chloro-4,6-dimethylpyridine;2-chloro-4,6-dimethylpyrimidine;2,4-dimethylbenzonitrile;3,5-dimethylbenzonitrile;3,5-dimethyl-1-oxidopyridin-1-ium;3,5-dimethylpyridazine;bis(2,4-dimethylpyridine);bis(4,6-dimethyl-1H-pyridin-2-one);4,6-dimethyl-2H-pyridin-3-one;4,6-dimethylpyrimidine;1-fluoro-2,4-dimethylbenzene;1-fluoro-3,5-dimethylbenzene;methane;3-methoxy-4,6-dimethylpyridazine;2-methoxy-4,6-dimethylpyridine;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine;2,4,6-trimethylpyrimidine;1,3-xylene
• PubChem CID: 158023656
• Molecular Formula: C155H202Cl3F2N25O6
• Molecular Weight: 2655.84 g/mol
• Exact Mass: 2652.53
• IUPAC Name: 3-chloro-4,6-dimethylpyridazine;2-chloro-4,6-dimethylpyridine;2-chloro-4,6-dimethylpyrimidine;2,4-dimethylbenzonitrile;3,5-dimethylbenzonitrile;3,5-dimethyl-1-oxidopyridin-1-ium;3,5-dimethylpyridazine;bis(2,4-dimethylpyridine);bis(4,6-dimethyl-1H-pyridin-2-one);4,6-dimethyl-2H-pyridin-3-one;4,6-dimethylpyrimidine;1-fluoro-2,4-dimethylbenzene;1-fluoro-3,5-dimethylbenzene;methane;3-methoxy-4,6-dimethylpyridazine;2-methoxy-4,6-dimethylpyridine;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine;2,4,6-trimethylpyrimidine;1,3-xylene
• SMILES: C.C.C.CC1=CC(C)=NCC1=O.COc1cc(C)cc(C)n1.COc1nnc(C)cc1C.Cc1cc(C)[nH]c(=O)c1.Cc1cc(C)[nH]c(=O)c1.Cc1cc(C)c(C)cn1.Cc1cc(C)c(C)nn1.Cc1cc(C)c(Cl)nn1.Cc1cc(C)c[n+]([O-])c1.Cc1cc(C)cc(C#N)c1.Cc1cc(C)cc(F)c1.Cc1cc(C)nc(C)n1.Cc1cc(C)nc(Cl)c1.Cc1cc(C)nc(Cl)n1.Cc1cc(C)ncn1.Cc1ccc(C#N)c(C)c1.Cc1ccc(F)c(C)c1.Cc1cccc(C)c1.Cc1ccnc(C)c1.Cc1ccnc(C)c1.Cc1cnnc(C)c1
• InChI: InChI=1S/2C9H9N.2C8H9F.C8H11NO.C8H11N.C8H10.C7H8ClN.C7H10N2O.2C7H10N2.4C7H9NO.2C7H9N.2C6H7ClN2.2C6H8N2.3CH4/c1-7-3-8(2)5-9(4-7)6-10;1-7-3-4-9(6-10)8(2)5-7;1-6-3-7(2)5-8(9)4-6;1-6-3-4-8(9)7(2)5-6;1-6-4-7(2)9-8(5-6)10-3;1-6-4-8(3)9-5-7(6)2;1-7-4-3-5-8(2)6-7;1-5-3-6(2)9-7(8)4-5;1-5-4-6(2)8-9-7(5)10-3;1-5-4-6(2)9-7(3)8-5;1-5-4-6(2)8-9-7(5)3;1-6-3-7(2)5-8(9)4-6;1-5-3-6(2)8-4-7(5)9;2*1-5-3-6(2)8-7(9)4-5;2*1-6-3-4-8-7(2)5-6;1-4-3-5(2)9-6(7)8-4;1-4-3-5(2)8-9-6(4)7;1-5-3-6(2)8-4-7-5;1-5-3-6(2)8-7-4-5;;;/h2*3-5H,1-2H3;2*3-5H,1-2H3;4-5H,1-3H3;4-5H,1-3H3;3-6H,1-2H3;3-4H,1-2H3;4H,1-3H3;2*4H,1-3H3;3-5H,1-2H3;3H,4H2,1-2H3;2*3-4H,1-2H3,(H,8,9);2*3-5H,1-2H3;2*3H,1-2H3;2*3-4H,1-2H3;3*1H4
• InChIKey: FGIWPWLNAFPHEW-UHFFFAOYSA-N
• XLogP: 36.39
• TPSA: 433.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 28
• Rotatable Bonds: 2
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2655.84
LogP ≤ 5	36.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,6-dimethylpyridazine;2-chloro-4,6-dimethylpyridine;2-chloro-4,6-dimethylpyrimidine;2,4-dimethylbenzonitrile;3,5-dimethylbenzonitrile;3,5-dimethyl-1-oxidopyridin-1-ium;3,5-dimethylpyridazine;bis(2,4-dimethylpyridine);bis(4,6-dimethyl-1H-pyridin-2-one);4,6-dimethyl-2H-pyridin-3-one;4,6-dimethylpyrimidine;1-fluoro-2,4-dimethylbenzene;1-fluoro-3,5-dimethylbenzene;methane;3-methoxy-4,6-dimethylpyridazine;2-methoxy-4,6-dimethylpyridine;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine;2,4,6-trimethylpyrimidine;1,3-xylene?

The IUPAC name of 3-chloro-4,6-dimethylpyridazine;2-chloro-4,6-dimethylpyridine;2-chloro-4,6-dimethylpyrimidine;2,4-dimethylbenzonitrile;3,5-dimethylbenzonitrile;3,5-dimethyl-1-oxidopyridin-1-ium;3,5-dimethylpyridazine;bis(2,4-dimethylpyridine);bis(4,6-dimethyl-1H-pyridin-2-one);4,6-dimethyl-2H-pyridin-3-one;4,6-dimethylpyrimidine;1-fluoro-2,4-dimethylbenzene;1-fluoro-3,5-dimethylbenzene;methane;3-methoxy-4,6-dimethylpyridazine;2-methoxy-4,6-dimethylpyridine;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine;2,4,6-trimethylpyrimidine;1,3-xylene (CID 158023656) is 3-chloro-4,6-dimethylpyridazine;2-chloro-4,6-dimethylpyridine;2-chloro-4,6-dimethylpyrimidine;2,4-dimethylbenzonitrile;3,5-dimethylbenzonitrile;3,5-dimethyl-1-oxidopyridin-1-ium;3,5-dimethylpyridazine;bis(2,4-dimethylpyridine);bis(4,6-dimethyl-1H-pyridin-2-one);4,6-dimethyl-2H-pyridin-3-one;4,6-dimethylpyrimidine;1-fluoro-2,4-dimethylbenzene;1-fluoro-3,5-dimethylbenzene;methane;3-methoxy-4,6-dimethylpyridazine;2-methoxy-4,6-dimethylpyridine;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine;2,4,6-trimethylpyrimidine;1,3-xylene.

What is the SMILES notation for 3-chloro-4,6-dimethylpyridazine;2-chloro-4,6-dimethylpyridine;2-chloro-4,6-dimethylpyrimidine;2,4-dimethylbenzonitrile;3,5-dimethylbenzonitrile;3,5-dimethyl-1-oxidopyridin-1-ium;3,5-dimethylpyridazine;bis(2,4-dimethylpyridine);bis(4,6-dimethyl-1H-pyridin-2-one);4,6-dimethyl-2H-pyridin-3-one;4,6-dimethylpyrimidine;1-fluoro-2,4-dimethylbenzene;1-fluoro-3,5-dimethylbenzene;methane;3-methoxy-4,6-dimethylpyridazine;2-methoxy-4,6-dimethylpyridine;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine;2,4,6-trimethylpyrimidine;1,3-xylene?

The canonical SMILES for 3-chloro-4,6-dimethylpyridazine;2-chloro-4,6-dimethylpyridine;2-chloro-4,6-dimethylpyrimidine;2,4-dimethylbenzonitrile;3,5-dimethylbenzonitrile;3,5-dimethyl-1-oxidopyridin-1-ium;3,5-dimethylpyridazine;bis(2,4-dimethylpyridine);bis(4,6-dimethyl-1H-pyridin-2-one);4,6-dimethyl-2H-pyridin-3-one;4,6-dimethylpyrimidine;1-fluoro-2,4-dimethylbenzene;1-fluoro-3,5-dimethylbenzene;methane;3-methoxy-4,6-dimethylpyridazine;2-methoxy-4,6-dimethylpyridine;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine;2,4,6-trimethylpyrimidine;1,3-xylene is C.C.C.CC1=CC(C)=NCC1=O.COc1cc(C)cc(C)n1.COc1nnc(C)cc1C.Cc1cc(C)[nH]c(=O)c1.Cc1cc(C)[nH]c(=O)c1.Cc1cc(C)c(C)cn1.Cc1cc(C)c(C)nn1.Cc1cc(C)c(Cl)nn1.Cc1cc(C)c[n+]([O-])c1.Cc1cc(C)cc(C#N)c1.Cc1cc(C)cc(F)c1.Cc1cc(C)nc(C)n1.Cc1cc(C)nc(Cl)c1.Cc1cc(C)nc(Cl)n1.Cc1cc(C)ncn1.Cc1ccc(C#N)c(C)c1.Cc1ccc(F)c(C)c1.Cc1cccc(C)c1.Cc1ccnc(C)c1.Cc1ccnc(C)c1.Cc1cnnc(C)c1.

What is the InChIKey of 3-chloro-4,6-dimethylpyridazine;2-chloro-4,6-dimethylpyridine;2-chloro-4,6-dimethylpyrimidine;2,4-dimethylbenzonitrile;3,5-dimethylbenzonitrile;3,5-dimethyl-1-oxidopyridin-1-ium;3,5-dimethylpyridazine;bis(2,4-dimethylpyridine);bis(4,6-dimethyl-1H-pyridin-2-one);4,6-dimethyl-2H-pyridin-3-one;4,6-dimethylpyrimidine;1-fluoro-2,4-dimethylbenzene;1-fluoro-3,5-dimethylbenzene;methane;3-methoxy-4,6-dimethylpyridazine;2-methoxy-4,6-dimethylpyridine;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine;2,4,6-trimethylpyrimidine;1,3-xylene?

The InChIKey is FGIWPWLNAFPHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H9N.2C8H9F.C8H11NO.C8H11N.C8H10.C7H8ClN.C7H10N2O.2C7H10N2.4C7H9NO.2C7H9N.2C6H7ClN2.2C6H8N2.3CH4/c1-7-3-8(2)5-9(4-7)6-10;1-7-3-4-9(6-10)8(2)5-7;1-6-3-7(2)5-8(9)4-6;1-6-3-4-8(9)7(2)5-6;1-6-4-7(2)9-8(5-6)10-3;1-6-4-8(3)9-5-7(6)2;1-7-4-3-5-8(2)6-7;1-5-3-6(2)9-7(8)4-5;1-5-4-6(2)8-9-7(5)10-3;1-5-4-6(2)9-7(3)8-5;1-5-4-6(2)8-9-7(5)3;1-6-3-7(2)5-8(9)4-6;1-5-3-6(2)8-4-7(5)9;2*1-5-3-6(2)8-7(9)4-5;2*1-6-3-4-8-7(2)5-6;1-4-3-5(2)9-6(7)8-4;1-4-3-5(2)8-9-6(4)7;1-5-3-6(2)8-4-7-5;1-5-3-6(2)8-7-4-5;;;/h2*3-5H,1-2H3;2*3-5H,1-2H3;4-5H,1-3H3;4-5H,1-3H3;3-6H,1-2H3;3-4H,1-2H3;4H,1-3H3;2*4H,1-3H3;3-5H,1-2H3;3H,4H2,1-2H3;2*3-4H,1-2H3,(H,8,9);2*3-5H,1-2H3;2*3H,1-2H3;2*3-4H,1-2H3;3*1H4.

What are the key properties of 3-chloro-4,6-dimethylpyridazine;2-chloro-4,6-dimethylpyridine;2-chloro-4,6-dimethylpyrimidine;2,4-dimethylbenzonitrile;3,5-dimethylbenzonitrile;3,5-dimethyl-1-oxidopyridin-1-ium;3,5-dimethylpyridazine;bis(2,4-dimethylpyridine);bis(4,6-dimethyl-1H-pyridin-2-one);4,6-dimethyl-2H-pyridin-3-one;4,6-dimethylpyrimidine;1-fluoro-2,4-dimethylbenzene;1-fluoro-3,5-dimethylbenzene;methane;3-methoxy-4,6-dimethylpyridazine;2-methoxy-4,6-dimethylpyridine;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine;2,4,6-trimethylpyrimidine;1,3-xylene?

3-chloro-4,6-dimethylpyridazine;2-chloro-4,6-dimethylpyridine;2-chloro-4,6-dimethylpyrimidine;2,4-dimethylbenzonitrile;3,5-dimethylbenzonitrile;3,5-dimethyl-1-oxidopyridin-1-ium;3,5-dimethylpyridazine;bis(2,4-dimethylpyridine);bis(4,6-dimethyl-1H-pyridin-2-one);4,6-dimethyl-2H-pyridin-3-one;4,6-dimethylpyrimidine;1-fluoro-2,4-dimethylbenzene;1-fluoro-3,5-dimethylbenzene;methane;3-methoxy-4,6-dimethylpyridazine;2-methoxy-4,6-dimethylpyridine;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine;2,4,6-trimethylpyrimidine;1,3-xylene has a molecular weight of 2655.84 g/mol, XLogP of 36.39, 2 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-4,6-dimethylpyridazine;2-chloro-4,6-dimethylpyridine;2-chloro-4,6-dimethylpyrimidine;2,4-dimethylbenzonitrile;3,5-dimethylbenzonitrile;3,5-dimethyl-1-oxidopyridin-1-ium;3,5-dimethylpyridazine;bis(2,4-dimethylpyridine);bis(4,6-dimethyl-1H-pyridin-2-one);4,6-dimethyl-2H-pyridin-3-one;4,6-dimethylpyrimidine;1-fluoro-2,4-dimethylbenzene;1-fluoro-3,5-dimethylbenzene;methane;3-methoxy-4,6-dimethylpyridazine;2-methoxy-4,6-dimethylpyridine;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine;2,4,6-trimethylpyrimidine;1,3-xylene is sourced from PubChem (CID 158023656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).