2,5-dimethylpyridine;4,5-dimethylpyrimidine;5-fluoro-2,3-dimethylpyridine;1-fluoro-4-methylbenzene;5-fluoro-2-methylpyridine;2-methyl-4-phenylpyrimidine;2-methyl-4-(trifluoromethyl)thiophene;bis(1,4-xylene)

C66H73F6N7S — CID 162240761

IUPAC2,5-dimethylpyridine;4,5-dimethylpyrimidine;5-fluoro-2,3-dimethylpyridine;1-fluoro-4-methylbenzene;5-fluoro-2-methylpyridine;2-methyl-4-phenylpyrimidine;2-methyl-4-(trifluoromethyl)thiophene;bis(1,4-xylene)
SMILESCc1cc(C(F)(F)F)cs1.Cc1cc(F)cnc1C.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(F)cc1.Cc1ccc(F)cn1.Cc1cncnc1C.Cc1nccc(-c2ccccc2)n1
InChIInChI=1S/C11H10N2.2C8H10.C7H8FN.C7H7F.C7H9N.C6H5F3S.C6H6FN.C6H8N2/c1-9-12-8-7-11(13-9)10-5-3-2-4-6-10;2*1-7-3-5-8(2)6-4-7;1-5-3-7(8)4-9-6(5)2;1-6-2-4-7(8)5-3-6;1-6-3-4-7(2)8-5-6;1-4-2-5(3-10-4)6(7,8)9;1-5-2-3-6(7)4-8-5;1-5-3-7-4-8-6(5)2/h2-8H,1H3;2*3-6H,1-2H3;3-4H,1-2H3;2-5H,1H3;3-5H,1-2H3;2-3H,1H3;2-4H,1H3;3-4H,1-2H3
InChIKeyZWRBDJNLHOVWEE-UHFFFAOYSA-N
MW1110.41 g/mol
LogP18.43
Rot. Bonds1

About 2,5-dimethylpyridine;4,5-dimethylpyrimidine;5-fluoro-2,3-dimethylpyridine;1-fluoro-4-methylbenzene;5-fluoro-2-methylpyridine;2-methyl-4-phenylpyrimidine;2-methyl-4-(trifluoromethyl)thiophene;bis(1,4-xylene)

2,5-dimethylpyridine;4,5-dimethylpyrimidine;5-fluoro-2,3-dimethylpyridine;1-fluoro-4-methylbenzene;5-fluoro-2-methylpyridine;2-methyl-4-phenylpyrimidine;2-methyl-4-(trifluoromethyl)thiophene;bis(1,4-xylene) (PubChem CID 162240761) has the molecular formula C66H73F6N7S and a molecular weight of 1110.41 g/mol. Its IUPAC name is 2,5-dimethylpyridine;4,5-dimethylpyrimidine;5-fluoro-2,3-dimethylpyridine;1-fluoro-4-methylbenzene;5-fluoro-2-methylpyridine;2-methyl-4-phenylpyrimidine;2-methyl-4-(trifluoromethyl)thiophene;bis(1,4-xylene).

Molecular Properties

Compound Name2,5-dimethylpyridine;4,5-dimethylpyrimidine;5-fluoro-2,3-dimethylpyridine;1-fluoro-4-methylbenzene;5-fluoro-2-methylpyridine;2-methyl-4-phenylpyrimidine;2-methyl-4-(trifluoromethyl)thiophene;bis(1,4-xylene)
PubChem CID162240761
Molecular FormulaC66H73F6N7S
Molecular Weight1110.41 g/mol
Exact Mass1109.56
IUPAC Name2,5-dimethylpyridine;4,5-dimethylpyrimidine;5-fluoro-2,3-dimethylpyridine;1-fluoro-4-methylbenzene;5-fluoro-2-methylpyridine;2-methyl-4-phenylpyrimidine;2-methyl-4-(trifluoromethyl)thiophene;bis(1,4-xylene)
SMILESCc1cc(C(F)(F)F)cs1.Cc1cc(F)cnc1C.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(F)cc1.Cc1ccc(F)cn1.Cc1cncnc1C.Cc1nccc(-c2ccccc2)n1
InChIInChI=1S/C11H10N2.2C8H10.C7H8FN.C7H7F.C7H9N.C6H5F3S.C6H6FN.C6H8N2/c1-9-12-8-7-11(13-9)10-5-3-2-4-6-10;2*1-7-3-5-8(2)6-4-7;1-5-3-7(8)4-9-6(5)2;1-6-2-4-7(8)5-3-6;1-6-3-4-7(2)8-5-6;1-4-2-5(3-10-4)6(7,8)9;1-5-2-3-6(7)4-8-5;1-5-3-7-4-8-6(5)2/h2-8H,1H3;2*3-6H,1-2H3;3-4H,1-2H3;2-5H,1H3;3-5H,1-2H3;2-3H,1H3;2-4H,1H3;3-4H,1-2H3
InChIKeyZWRBDJNLHOVWEE-UHFFFAOYSA-N
XLogP18.43
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms80
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001110.41
LogP ≤ 518.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2,5-dimethylpyridine;4,5-dimethylpyrimidine;5-fluoro-2,3-dimethylpyridine;1-fluoro-4-methylbenzene;5-fluoro-2-methylpyridine;2-methyl-4-phenylpyrimidine;2-methyl-4-(trifluoromethyl)thiophene;bis(1,4-xylene) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylpyridine;4,5-dimethylpyrimidine;5-fluoro-2,3-dimethylpyridine;1-fluoro-4-methylbenzene;5-fluoro-2-methylpyridine;2-methyl-4-phenylpyrimidine;2-methyl-4-(trifluoromethyl)thiophene;bis(1,4-xylene)?
The IUPAC name of 2,5-dimethylpyridine;4,5-dimethylpyrimidine;5-fluoro-2,3-dimethylpyridine;1-fluoro-4-methylbenzene;5-fluoro-2-methylpyridine;2-methyl-4-phenylpyrimidine;2-methyl-4-(trifluoromethyl)thiophene;bis(1,4-xylene) (CID 162240761) is 2,5-dimethylpyridine;4,5-dimethylpyrimidine;5-fluoro-2,3-dimethylpyridine;1-fluoro-4-methylbenzene;5-fluoro-2-methylpyridine;2-methyl-4-phenylpyrimidine;2-methyl-4-(trifluoromethyl)thiophene;bis(1,4-xylene).
What is the SMILES notation for 2,5-dimethylpyridine;4,5-dimethylpyrimidine;5-fluoro-2,3-dimethylpyridine;1-fluoro-4-methylbenzene;5-fluoro-2-methylpyridine;2-methyl-4-phenylpyrimidine;2-methyl-4-(trifluoromethyl)thiophene;bis(1,4-xylene)?
The canonical SMILES for 2,5-dimethylpyridine;4,5-dimethylpyrimidine;5-fluoro-2,3-dimethylpyridine;1-fluoro-4-methylbenzene;5-fluoro-2-methylpyridine;2-methyl-4-phenylpyrimidine;2-methyl-4-(trifluoromethyl)thiophene;bis(1,4-xylene) is Cc1cc(C(F)(F)F)cs1.Cc1cc(F)cnc1C.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(F)cc1.Cc1ccc(F)cn1.Cc1cncnc1C.Cc1nccc(-c2ccccc2)n1.
What is the InChIKey of 2,5-dimethylpyridine;4,5-dimethylpyrimidine;5-fluoro-2,3-dimethylpyridine;1-fluoro-4-methylbenzene;5-fluoro-2-methylpyridine;2-methyl-4-phenylpyrimidine;2-methyl-4-(trifluoromethyl)thiophene;bis(1,4-xylene)?
The InChIKey is ZWRBDJNLHOVWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2.2C8H10.C7H8FN.C7H7F.C7H9N.C6H5F3S.C6H6FN.C6H8N2/c1-9-12-8-7-11(13-9)10-5-3-2-4-6-10;2*1-7-3-5-8(2)6-4-7;1-5-3-7(8)4-9-6(5)2;1-6-2-4-7(8)5-3-6;1-6-3-4-7(2)8-5-6;1-4-2-5(3-10-4)6(7,8)9;1-5-2-3-6(7)4-8-5;1-5-3-7-4-8-6(5)2/h2-8H,1H3;2*3-6H,1-2H3;3-4H,1-2H3;2-5H,1H3;3-5H,1-2H3;2-3H,1H3;2-4H,1H3;3-4H,1-2H3.
What are the key properties of 2,5-dimethylpyridine;4,5-dimethylpyrimidine;5-fluoro-2,3-dimethylpyridine;1-fluoro-4-methylbenzene;5-fluoro-2-methylpyridine;2-methyl-4-phenylpyrimidine;2-methyl-4-(trifluoromethyl)thiophene;bis(1,4-xylene)?
2,5-dimethylpyridine;4,5-dimethylpyrimidine;5-fluoro-2,3-dimethylpyridine;1-fluoro-4-methylbenzene;5-fluoro-2-methylpyridine;2-methyl-4-phenylpyrimidine;2-methyl-4-(trifluoromethyl)thiophene;bis(1,4-xylene) has a molecular weight of 1110.41 g/mol, XLogP of 18.43, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylpyridine;4,5-dimethylpyrimidine;5-fluoro-2,3-dimethylpyridine;1-fluoro-4-methylbenzene;5-fluoro-2-methylpyridine;2-methyl-4-phenylpyrimidine;2-methyl-4-(trifluoromethyl)thiophene;bis(1,4-xylene) is sourced from PubChem (CID 162240761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).