2,3-dimethylpyridine;3-methyl-2,4-bis(trifluoromethyl)pyridine;4-methyl-3,5-bis(trifluoromethyl)pyridine;4-methylpyrimidine-2-carbonitrile;2-methylpyrimidine-4,6-dicarbonitrile;6-methyl-1,3,5-triazine-2,4-dicarbonitrile;2-methyl-5-(trifluoromethyl)pyridine;2-methyl-6-(trifluoromethyl)pyridine;3-methyl-2-(trifluoromethyl)pyridine

C63H49F21N18 — CID 157113114

IUPAC2,3-dimethylpyridine;3-methyl-2,4-bis(trifluoromethyl)pyridine;4-methyl-3,5-bis(trifluoromethyl)pyridine;4-methylpyrimidine-2-carbonitrile;2-methylpyrimidine-4,6-dicarbonitrile;6-methyl-1,3,5-triazine-2,4-dicarbonitrile;2-methyl-5-(trifluoromethyl)pyridine;2-methyl-6-(trifluoromethyl)pyridine;3-methyl-2-(trifluoromethyl)pyridine
SMILESCc1c(C(F)(F)F)ccnc1C(F)(F)F.Cc1c(C(F)(F)F)cncc1C(F)(F)F.Cc1ccc(C(F)(F)F)cn1.Cc1cccc(C(F)(F)F)n1.Cc1cccnc1C.Cc1cccnc1C(F)(F)F.Cc1ccnc(C#N)n1.Cc1nc(C#N)cc(C#N)n1.Cc1nc(C#N)nc(C#N)n1
InChIInChI=1S/2C8H5F6N.3C7H6F3N.C7H4N4.C7H9N.C6H3N5.C6H5N3/c1-4-5(7(9,10)11)2-15-3-6(4)8(12,13)14;1-4-5(7(9,10)11)2-3-15-6(4)8(12,13)14;1-5-2-3-6(4-11-5)7(8,9)10;1-5-3-2-4-11-6(5)7(8,9)10;1-5-3-2-4-6(11-5)7(8,9)10;1-5-10-6(3-8)2-7(4-9)11-5;1-6-4-3-5-8-7(6)2;1-4-9-5(2-7)11-6(3-8)10-4;1-5-2-3-8-6(4-7)9-5/h2*2-3H,1H3;3*2-4H,1H3;2H,1H3;3-5H,1-2H3;1H3;2-3H,1H3
InChIKeyAHBSGLYSDJJNOP-UHFFFAOYSA-N
MW1457.17 g/mol
LogP16.89
Rot. Bonds

About 2,3-dimethylpyridine;3-methyl-2,4-bis(trifluoromethyl)pyridine;4-methyl-3,5-bis(trifluoromethyl)pyridine;4-methylpyrimidine-2-carbonitrile;2-methylpyrimidine-4,6-dicarbonitrile;6-methyl-1,3,5-triazine-2,4-dicarbonitrile;2-methyl-5-(trifluoromethyl)pyridine;2-methyl-6-(trifluoromethyl)pyridine;3-methyl-2-(trifluoromethyl)pyridine

2,3-dimethylpyridine;3-methyl-2,4-bis(trifluoromethyl)pyridine;4-methyl-3,5-bis(trifluoromethyl)pyridine;4-methylpyrimidine-2-carbonitrile;2-methylpyrimidine-4,6-dicarbonitrile;6-methyl-1,3,5-triazine-2,4-dicarbonitrile;2-methyl-5-(trifluoromethyl)pyridine;2-methyl-6-(trifluoromethyl)pyridine;3-methyl-2-(trifluoromethyl)pyridine (PubChem CID 157113114) has the molecular formula C63H49F21N18 and a molecular weight of 1457.17 g/mol. Its IUPAC name is 2,3-dimethylpyridine;3-methyl-2,4-bis(trifluoromethyl)pyridine;4-methyl-3,5-bis(trifluoromethyl)pyridine;4-methylpyrimidine-2-carbonitrile;2-methylpyrimidine-4,6-dicarbonitrile;6-methyl-1,3,5-triazine-2,4-dicarbonitrile;2-methyl-5-(trifluoromethyl)pyridine;2-methyl-6-(trifluoromethyl)pyridine;3-methyl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2,3-dimethylpyridine;3-methyl-2,4-bis(trifluoromethyl)pyridine;4-methyl-3,5-bis(trifluoromethyl)pyridine;4-methylpyrimidine-2-carbonitrile;2-methylpyrimidine-4,6-dicarbonitrile;6-methyl-1,3,5-triazine-2,4-dicarbonitrile;2-methyl-5-(trifluoromethyl)pyridine;2-methyl-6-(trifluoromethyl)pyridine;3-methyl-2-(trifluoromethyl)pyridine
PubChem CID157113114
Molecular FormulaC63H49F21N18
Molecular Weight1457.17 g/mol
Exact Mass1456.41
IUPAC Name2,3-dimethylpyridine;3-methyl-2,4-bis(trifluoromethyl)pyridine;4-methyl-3,5-bis(trifluoromethyl)pyridine;4-methylpyrimidine-2-carbonitrile;2-methylpyrimidine-4,6-dicarbonitrile;6-methyl-1,3,5-triazine-2,4-dicarbonitrile;2-methyl-5-(trifluoromethyl)pyridine;2-methyl-6-(trifluoromethyl)pyridine;3-methyl-2-(trifluoromethyl)pyridine
SMILESCc1c(C(F)(F)F)ccnc1C(F)(F)F.Cc1c(C(F)(F)F)cncc1C(F)(F)F.Cc1ccc(C(F)(F)F)cn1.Cc1cccc(C(F)(F)F)n1.Cc1cccnc1C.Cc1cccnc1C(F)(F)F.Cc1ccnc(C#N)n1.Cc1nc(C#N)cc(C#N)n1.Cc1nc(C#N)nc(C#N)n1
InChIInChI=1S/2C8H5F6N.3C7H6F3N.C7H4N4.C7H9N.C6H3N5.C6H5N3/c1-4-5(7(9,10)11)2-15-3-6(4)8(12,13)14;1-4-5(7(9,10)11)2-3-15-6(4)8(12,13)14;1-5-2-3-6(4-11-5)7(8,9)10;1-5-3-2-4-11-6(5)7(8,9)10;1-5-3-2-4-6(11-5)7(8,9)10;1-5-10-6(3-8)2-7(4-9)11-5;1-6-4-3-5-8-7(6)2;1-4-9-5(2-7)11-6(3-8)10-4;1-5-2-3-8-6(4-7)9-5/h2*2-3H,1H3;3*2-4H,1H3;2H,1H3;3-5H,1-2H3;1H3;2-3H,1H3
InChIKeyAHBSGLYSDJJNOP-UHFFFAOYSA-N
XLogP16.89
TPSA286.52 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001457.17
LogP ≤ 516.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 2,3-dimethylpyridine;3-methyl-2,4-bis(trifluoromethyl)pyridine;4-methyl-3,5-bis(trifluoromethyl)pyridine;4-methylpyrimidine-2-carbonitrile;2-methylpyrimidine-4,6-dicarbonitrile;6-methyl-1,3,5-triazine-2,4-dicarbonitrile;2-methyl-5-(trifluoromethyl)pyridine;2-methyl-6-(trifluoromethyl)pyridine;3-methyl-2-(trifluoromethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(Trifluoromethyl)-6-(8-(5-(trifluoromethyl)pyridin-2-ylamino)pyrido[2,3-b]pyrazin-3-yl)nicotinonitrile
CID 49863890
7-[4-(2-Pyrimidinyl)piperazino]-2,4-bis(trifluoromethyl)[1,8]naphthyridine
CID 2766446
4-Pyridin-3-yl-2-pyridin-4-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 3431450
4-(4-Methylpiperazin-1-yl)-2-pyridin-3-yl-6-pyridin-4-ylpyrimidine
CID 3608410
4-Piperidin-1-yl-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine
CID 4187625
4-(4-Methylpiperazin-1-yl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine
CID 4348221
5-(Trifluoromethyl)-2-(7-(3-(trifluoromethyl)pyridin-2-yl)-1,8-naphthyridin-4-ylamino)pyrimidine-4-carbonitrile
CID 49863800
N-(5-(trifluoromethyl)pyridin-2-yl)-7-(3-(trifluoromethyl)pyridin-4-yl)-1,8-naphthyridin-4-amine
CID 49863826
2-(6-((2-isopropyl-7-(3-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-yl)methyl)pyridin-3-yl)-2-methylpropanenitrile
CID 52949901
5-[6-(4-Morpholin-4-ylpiperidin-1-yl)-2-pyridin-4-ylpyrimidin-4-yl]pyridine-3-carbonitrile
CID 155543867
4-(4-Phenylpiperazin-1-yl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine
CID 155555155
4-(4-Piperidin-1-ylpiperidin-1-yl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine
CID 155568156

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylpyridine;3-methyl-2,4-bis(trifluoromethyl)pyridine;4-methyl-3,5-bis(trifluoromethyl)pyridine;4-methylpyrimidine-2-carbonitrile;2-methylpyrimidine-4,6-dicarbonitrile;6-methyl-1,3,5-triazine-2,4-dicarbonitrile;2-methyl-5-(trifluoromethyl)pyridine;2-methyl-6-(trifluoromethyl)pyridine;3-methyl-2-(trifluoromethyl)pyridine?
The IUPAC name of 2,3-dimethylpyridine;3-methyl-2,4-bis(trifluoromethyl)pyridine;4-methyl-3,5-bis(trifluoromethyl)pyridine;4-methylpyrimidine-2-carbonitrile;2-methylpyrimidine-4,6-dicarbonitrile;6-methyl-1,3,5-triazine-2,4-dicarbonitrile;2-methyl-5-(trifluoromethyl)pyridine;2-methyl-6-(trifluoromethyl)pyridine;3-methyl-2-(trifluoromethyl)pyridine (CID 157113114) is 2,3-dimethylpyridine;3-methyl-2,4-bis(trifluoromethyl)pyridine;4-methyl-3,5-bis(trifluoromethyl)pyridine;4-methylpyrimidine-2-carbonitrile;2-methylpyrimidine-4,6-dicarbonitrile;6-methyl-1,3,5-triazine-2,4-dicarbonitrile;2-methyl-5-(trifluoromethyl)pyridine;2-methyl-6-(trifluoromethyl)pyridine;3-methyl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 2,3-dimethylpyridine;3-methyl-2,4-bis(trifluoromethyl)pyridine;4-methyl-3,5-bis(trifluoromethyl)pyridine;4-methylpyrimidine-2-carbonitrile;2-methylpyrimidine-4,6-dicarbonitrile;6-methyl-1,3,5-triazine-2,4-dicarbonitrile;2-methyl-5-(trifluoromethyl)pyridine;2-methyl-6-(trifluoromethyl)pyridine;3-methyl-2-(trifluoromethyl)pyridine?
The canonical SMILES for 2,3-dimethylpyridine;3-methyl-2,4-bis(trifluoromethyl)pyridine;4-methyl-3,5-bis(trifluoromethyl)pyridine;4-methylpyrimidine-2-carbonitrile;2-methylpyrimidine-4,6-dicarbonitrile;6-methyl-1,3,5-triazine-2,4-dicarbonitrile;2-methyl-5-(trifluoromethyl)pyridine;2-methyl-6-(trifluoromethyl)pyridine;3-methyl-2-(trifluoromethyl)pyridine is Cc1c(C(F)(F)F)ccnc1C(F)(F)F.Cc1c(C(F)(F)F)cncc1C(F)(F)F.Cc1ccc(C(F)(F)F)cn1.Cc1cccc(C(F)(F)F)n1.Cc1cccnc1C.Cc1cccnc1C(F)(F)F.Cc1ccnc(C#N)n1.Cc1nc(C#N)cc(C#N)n1.Cc1nc(C#N)nc(C#N)n1.
What is the InChIKey of 2,3-dimethylpyridine;3-methyl-2,4-bis(trifluoromethyl)pyridine;4-methyl-3,5-bis(trifluoromethyl)pyridine;4-methylpyrimidine-2-carbonitrile;2-methylpyrimidine-4,6-dicarbonitrile;6-methyl-1,3,5-triazine-2,4-dicarbonitrile;2-methyl-5-(trifluoromethyl)pyridine;2-methyl-6-(trifluoromethyl)pyridine;3-methyl-2-(trifluoromethyl)pyridine?
The InChIKey is AHBSGLYSDJJNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H5F6N.3C7H6F3N.C7H4N4.C7H9N.C6H3N5.C6H5N3/c1-4-5(7(9,10)11)2-15-3-6(4)8(12,13)14;1-4-5(7(9,10)11)2-3-15-6(4)8(12,13)14;1-5-2-3-6(4-11-5)7(8,9)10;1-5-3-2-4-11-6(5)7(8,9)10;1-5-3-2-4-6(11-5)7(8,9)10;1-5-10-6(3-8)2-7(4-9)11-5;1-6-4-3-5-8-7(6)2;1-4-9-5(2-7)11-6(3-8)10-4;1-5-2-3-8-6(4-7)9-5/h2*2-3H,1H3;3*2-4H,1H3;2H,1H3;3-5H,1-2H3;1H3;2-3H,1H3.
What are the key properties of 2,3-dimethylpyridine;3-methyl-2,4-bis(trifluoromethyl)pyridine;4-methyl-3,5-bis(trifluoromethyl)pyridine;4-methylpyrimidine-2-carbonitrile;2-methylpyrimidine-4,6-dicarbonitrile;6-methyl-1,3,5-triazine-2,4-dicarbonitrile;2-methyl-5-(trifluoromethyl)pyridine;2-methyl-6-(trifluoromethyl)pyridine;3-methyl-2-(trifluoromethyl)pyridine?
2,3-dimethylpyridine;3-methyl-2,4-bis(trifluoromethyl)pyridine;4-methyl-3,5-bis(trifluoromethyl)pyridine;4-methylpyrimidine-2-carbonitrile;2-methylpyrimidine-4,6-dicarbonitrile;6-methyl-1,3,5-triazine-2,4-dicarbonitrile;2-methyl-5-(trifluoromethyl)pyridine;2-methyl-6-(trifluoromethyl)pyridine;3-methyl-2-(trifluoromethyl)pyridine has a molecular weight of 1457.17 g/mol, XLogP of 16.89, 0 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylpyridine;3-methyl-2,4-bis(trifluoromethyl)pyridine;4-methyl-3,5-bis(trifluoromethyl)pyridine;4-methylpyrimidine-2-carbonitrile;2-methylpyrimidine-4,6-dicarbonitrile;6-methyl-1,3,5-triazine-2,4-dicarbonitrile;2-methyl-5-(trifluoromethyl)pyridine;2-methyl-6-(trifluoromethyl)pyridine;3-methyl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 157113114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).