bis(2,3-dimethylpyridine);2-fluoro-4-methylpyridine;3-fluoro-4-methylpyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-5-(trifluoromethyl)pyridine;2-methyl-6-(trifluoromethyl)pyridine

C47H48F11N7 — CID 162243344

IUPACbis(2,3-dimethylpyridine);2-fluoro-4-methylpyridine;3-fluoro-4-methylpyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-5-(trifluoromethyl)pyridine;2-methyl-6-(trifluoromethyl)pyridine
SMILESCc1cc(C(F)(F)F)ccn1.Cc1ccc(C(F)(F)F)cn1.Cc1cccc(C(F)(F)F)n1.Cc1cccnc1C.Cc1cccnc1C.Cc1ccnc(F)c1.Cc1ccncc1F
InChIInChI=1S/3C7H6F3N.2C7H9N.2C6H6FN/c1-5-4-6(2-3-11-5)7(8,9)10;1-5-2-3-6(4-11-5)7(8,9)10;1-5-3-2-4-6(11-5)7(8,9)10;2*1-6-4-3-5-8-7(6)2;1-5-2-3-8-4-6(5)7;1-5-2-3-8-6(7)4-5/h3*2-4H,1H3;2*3-5H,1-2H3;2*2-4H,1H3
InChIKeyZWZPKTUJCQHHBV-UHFFFAOYSA-N
MW919.93 g/mol
LogP13.68
Rot. Bonds

About bis(2,3-dimethylpyridine);2-fluoro-4-methylpyridine;3-fluoro-4-methylpyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-5-(trifluoromethyl)pyridine;2-methyl-6-(trifluoromethyl)pyridine

bis(2,3-dimethylpyridine);2-fluoro-4-methylpyridine;3-fluoro-4-methylpyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-5-(trifluoromethyl)pyridine;2-methyl-6-(trifluoromethyl)pyridine (PubChem CID 162243344) has the molecular formula C47H48F11N7 and a molecular weight of 919.93 g/mol. Its IUPAC name is bis(2,3-dimethylpyridine);2-fluoro-4-methylpyridine;3-fluoro-4-methylpyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-5-(trifluoromethyl)pyridine;2-methyl-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Namebis(2,3-dimethylpyridine);2-fluoro-4-methylpyridine;3-fluoro-4-methylpyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-5-(trifluoromethyl)pyridine;2-methyl-6-(trifluoromethyl)pyridine
PubChem CID162243344
Molecular FormulaC47H48F11N7
Molecular Weight919.93 g/mol
Exact Mass919.38
IUPAC Namebis(2,3-dimethylpyridine);2-fluoro-4-methylpyridine;3-fluoro-4-methylpyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-5-(trifluoromethyl)pyridine;2-methyl-6-(trifluoromethyl)pyridine
SMILESCc1cc(C(F)(F)F)ccn1.Cc1ccc(C(F)(F)F)cn1.Cc1cccc(C(F)(F)F)n1.Cc1cccnc1C.Cc1cccnc1C.Cc1ccnc(F)c1.Cc1ccncc1F
InChIInChI=1S/3C7H6F3N.2C7H9N.2C6H6FN/c1-5-4-6(2-3-11-5)7(8,9)10;1-5-2-3-6(4-11-5)7(8,9)10;1-5-3-2-4-6(11-5)7(8,9)10;2*1-6-4-3-5-8-7(6)2;1-5-2-3-8-4-6(5)7;1-5-2-3-8-6(7)4-5/h3*2-4H,1H3;2*3-5H,1-2H3;2*2-4H,1H3
InChIKeyZWZPKTUJCQHHBV-UHFFFAOYSA-N
XLogP13.68
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.93
LogP ≤ 513.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4'-(4-Pyridyl)-2,2':6',2''-terpyridine
CID 11438308
2,2':4',2''-Terpyridine, 6'-(2-pyridinyl)-
CID 9972674
3-(2,2-Dipyridin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]pyridine
CID 66829417
Nemertelline
CID 3042423
Tris[2,2'-bipyridine]ruthenium dichloride
CID 84353
1,19,37,55-Tetrazoniapentacyclo[67.3.1.115,19.133,37.151,55]hexaheptaconta-1(72),15(76),16,18,33(75),34,36,51(74),52,54,69(73),70-dodecaene tetraiodide
CID 70694113
2-Phenyl-5-[[5-(trifluoromethyl)pyridin-3-yl]methyl]pyridine
CID 73347616
2-(2-Fluorophenyl)-5-[(5-methyl-3-pyridinyl)methyl]pyridine
CID 137633417
N,N-bis(pyridin-2-ylmethyl)-1-[2-[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)-2-pyridinyl]-4-pyridinyl]methanamine
CID 155568146
Pyridoclax
CID 92042827
Iron(2+), tris(2,2'-bipyridine-N,N')-, dichloride
CID 203609
Iron, tris(2,2'-bipyridine-kappaN1,kappaN1')-, (OC-6-11)-
CID 3032636

Frequently Asked Questions

What is the IUPAC name of bis(2,3-dimethylpyridine);2-fluoro-4-methylpyridine;3-fluoro-4-methylpyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-5-(trifluoromethyl)pyridine;2-methyl-6-(trifluoromethyl)pyridine?
The IUPAC name of bis(2,3-dimethylpyridine);2-fluoro-4-methylpyridine;3-fluoro-4-methylpyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-5-(trifluoromethyl)pyridine;2-methyl-6-(trifluoromethyl)pyridine (CID 162243344) is bis(2,3-dimethylpyridine);2-fluoro-4-methylpyridine;3-fluoro-4-methylpyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-5-(trifluoromethyl)pyridine;2-methyl-6-(trifluoromethyl)pyridine.
What is the SMILES notation for bis(2,3-dimethylpyridine);2-fluoro-4-methylpyridine;3-fluoro-4-methylpyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-5-(trifluoromethyl)pyridine;2-methyl-6-(trifluoromethyl)pyridine?
The canonical SMILES for bis(2,3-dimethylpyridine);2-fluoro-4-methylpyridine;3-fluoro-4-methylpyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-5-(trifluoromethyl)pyridine;2-methyl-6-(trifluoromethyl)pyridine is Cc1cc(C(F)(F)F)ccn1.Cc1ccc(C(F)(F)F)cn1.Cc1cccc(C(F)(F)F)n1.Cc1cccnc1C.Cc1cccnc1C.Cc1ccnc(F)c1.Cc1ccncc1F.
What is the InChIKey of bis(2,3-dimethylpyridine);2-fluoro-4-methylpyridine;3-fluoro-4-methylpyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-5-(trifluoromethyl)pyridine;2-methyl-6-(trifluoromethyl)pyridine?
The InChIKey is ZWZPKTUJCQHHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H6F3N.2C7H9N.2C6H6FN/c1-5-4-6(2-3-11-5)7(8,9)10;1-5-2-3-6(4-11-5)7(8,9)10;1-5-3-2-4-6(11-5)7(8,9)10;2*1-6-4-3-5-8-7(6)2;1-5-2-3-8-4-6(5)7;1-5-2-3-8-6(7)4-5/h3*2-4H,1H3;2*3-5H,1-2H3;2*2-4H,1H3.
What are the key properties of bis(2,3-dimethylpyridine);2-fluoro-4-methylpyridine;3-fluoro-4-methylpyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-5-(trifluoromethyl)pyridine;2-methyl-6-(trifluoromethyl)pyridine?
bis(2,3-dimethylpyridine);2-fluoro-4-methylpyridine;3-fluoro-4-methylpyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-5-(trifluoromethyl)pyridine;2-methyl-6-(trifluoromethyl)pyridine has a molecular weight of 919.93 g/mol, XLogP of 13.68, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-dimethylpyridine);2-fluoro-4-methylpyridine;3-fluoro-4-methylpyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-5-(trifluoromethyl)pyridine;2-methyl-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 162243344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).