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

C49H50F13N7 — CID 161033481

IUPAC2-(difluoromethyl)-6-methylpyridine;5-(difluoromethyl)-2-methylpyridine;bis(3,4-dimethylpyridine);3-methyl-5-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine
SMILESCc1ccc(C(F)(F)F)nc1.Cc1ccc(C(F)F)cn1.Cc1cccc(C(F)F)n1.Cc1ccnc(C(F)(F)F)c1.Cc1ccncc1C.Cc1ccncc1C.Cc1cncc(C(F)(F)F)c1
InChIInChI=1S/3C7H6F3N.2C7H7F2N.2C7H9N/c1-5-2-6(4-11-3-5)7(8,9)10;1-5-2-3-11-6(4-5)7(8,9)10;1-5-2-3-6(11-4-5)7(8,9)10;1-5-2-3-6(4-10-5)7(8)9;1-5-3-2-4-6(10-5)7(8)9;2*1-6-3-4-8-5-7(6)2/h3*2-4H,1H3;2*2-4,7H,1H3;2*3-5H,1-2H3
InChIKeyTZYBHEFFOYILDC-UHFFFAOYSA-N
MW983.96 g/mol
LogP15.28
Rot. Bonds2

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

2-(difluoromethyl)-6-methylpyridine;5-(difluoromethyl)-2-methylpyridine;bis(3,4-dimethylpyridine);3-methyl-5-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine (PubChem CID 161033481) has the molecular formula C49H50F13N7 and a molecular weight of 983.96 g/mol. Its IUPAC name is 2-(difluoromethyl)-6-methylpyridine;5-(difluoromethyl)-2-methylpyridine;bis(3,4-dimethylpyridine);3-methyl-5-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(difluoromethyl)-6-methylpyridine;5-(difluoromethyl)-2-methylpyridine;bis(3,4-dimethylpyridine);3-methyl-5-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine
PubChem CID161033481
Molecular FormulaC49H50F13N7
Molecular Weight983.96 g/mol
Exact Mass983.39
IUPAC Name2-(difluoromethyl)-6-methylpyridine;5-(difluoromethyl)-2-methylpyridine;bis(3,4-dimethylpyridine);3-methyl-5-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine
SMILESCc1ccc(C(F)(F)F)nc1.Cc1ccc(C(F)F)cn1.Cc1cccc(C(F)F)n1.Cc1ccnc(C(F)(F)F)c1.Cc1ccncc1C.Cc1ccncc1C.Cc1cncc(C(F)(F)F)c1
InChIInChI=1S/3C7H6F3N.2C7H7F2N.2C7H9N/c1-5-2-6(4-11-3-5)7(8,9)10;1-5-2-3-11-6(4-5)7(8,9)10;1-5-2-3-6(11-4-5)7(8,9)10;1-5-2-3-6(4-10-5)7(8)9;1-5-3-2-4-6(10-5)7(8)9;2*1-6-3-4-8-5-7(6)2/h3*2-4H,1H3;2*2-4,7H,1H3;2*3-5H,1-2H3
InChIKeyTZYBHEFFOYILDC-UHFFFAOYSA-N
XLogP15.28
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500983.96
LogP ≤ 515.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(difluoromethyl)-6-methylpyridine;5-(difluoromethyl)-2-methylpyridine;bis(3,4-dimethylpyridine);3-methyl-5-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine with MolForge

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Related Compounds

4'-(4-Pyridyl)-2,2':6',2''-terpyridine
CID 11438308
2,6-Bis(2-pyridyl)-4-phenylpyridine
CID 4407216
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
4'-(4-Methylphenyl)-2,2'-6',2''-terpyridine
CID 146114
1~4~,2~4~,3~4~-Tri-tert-butyl-1~2~,2~2~:2~6~,3~2~-terpyridine
CID 4229824
Tris[2,2'-bipyridine]ruthenium dichloride
CID 84353
1-[3,5-Bis[[4-[1-[[3,5-bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]-4-[1-[3,5-bis[[4-[1-[[3,5-bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium hexacosahexafluorophosphate
CID 46889635
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
N,N-bis(pyridin-2-ylmethyl)-1-[2-[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)-2-pyridinyl]-4-pyridinyl]methanamine
CID 155568146

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-6-methylpyridine;5-(difluoromethyl)-2-methylpyridine;bis(3,4-dimethylpyridine);3-methyl-5-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine?
The IUPAC name of 2-(difluoromethyl)-6-methylpyridine;5-(difluoromethyl)-2-methylpyridine;bis(3,4-dimethylpyridine);3-methyl-5-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine (CID 161033481) is 2-(difluoromethyl)-6-methylpyridine;5-(difluoromethyl)-2-methylpyridine;bis(3,4-dimethylpyridine);3-methyl-5-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(difluoromethyl)-6-methylpyridine;5-(difluoromethyl)-2-methylpyridine;bis(3,4-dimethylpyridine);3-methyl-5-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(difluoromethyl)-6-methylpyridine;5-(difluoromethyl)-2-methylpyridine;bis(3,4-dimethylpyridine);3-methyl-5-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine is Cc1ccc(C(F)(F)F)nc1.Cc1ccc(C(F)F)cn1.Cc1cccc(C(F)F)n1.Cc1ccnc(C(F)(F)F)c1.Cc1ccncc1C.Cc1ccncc1C.Cc1cncc(C(F)(F)F)c1.
What is the InChIKey of 2-(difluoromethyl)-6-methylpyridine;5-(difluoromethyl)-2-methylpyridine;bis(3,4-dimethylpyridine);3-methyl-5-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine?
The InChIKey is TZYBHEFFOYILDC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H6F3N.2C7H7F2N.2C7H9N/c1-5-2-6(4-11-3-5)7(8,9)10;1-5-2-3-11-6(4-5)7(8,9)10;1-5-2-3-6(11-4-5)7(8,9)10;1-5-2-3-6(4-10-5)7(8)9;1-5-3-2-4-6(10-5)7(8)9;2*1-6-3-4-8-5-7(6)2/h3*2-4H,1H3;2*2-4,7H,1H3;2*3-5H,1-2H3.
What are the key properties of 2-(difluoromethyl)-6-methylpyridine;5-(difluoromethyl)-2-methylpyridine;bis(3,4-dimethylpyridine);3-methyl-5-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine?
2-(difluoromethyl)-6-methylpyridine;5-(difluoromethyl)-2-methylpyridine;bis(3,4-dimethylpyridine);3-methyl-5-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine has a molecular weight of 983.96 g/mol, XLogP of 15.28, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-6-methylpyridine;5-(difluoromethyl)-2-methylpyridine;bis(3,4-dimethylpyridine);3-methyl-5-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 161033481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).