2-chloro-5-methyl-4-(trifluoromethyl)pyridine;2,3-dichloro-5-methylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;1-hydroxy-4-methylpyridin-1-ium;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine

C74H88Cl3F3N17O+ — CID 160925721

IUPAC2-chloro-5-methyl-4-(trifluoromethyl)pyridine;2,3-dichloro-5-methylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;1-hydroxy-4-methylpyridin-1-ium;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine
SMILESCc1cc[n+](O)cc1.Cc1ccc(C)nc1.Cc1ccnc(C)c1.Cc1ccnc(C)n1.Cc1ccnc(C)n1.Cc1ccncc1.Cc1ccncc1C.Cc1ccncn1.Cc1cnc(C)nc1.Cc1cnc(Cl)c(Cl)c1.Cc1cnc(Cl)cc1C(F)(F)F.Cc1ncccn1
InChIInChI=1S/C7H5ClF3N.3C7H9N.C6H5Cl2N.3C6H8N2.C6H8NO.C6H7N.2C5H6N2/c1-4-3-12-6(8)2-5(4)7(9,10)11;1-6-3-4-8-5-7(6)2;1-6-3-4-8-7(2)5-6;1-6-3-4-7(2)8-5-6;1-4-2-5(7)6(8)9-3-4;1-5-3-7-6(2)8-4-5;2*1-5-3-4-7-6(2)8-5;1-6-2-4-7(8)5-3-6;1-6-2-4-7-5-3-6;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5/h2-3H,1H3;3*3-5H,1-2H3;2-3H,1H3;3*3-4H,1-2H3;2-5,8H,1H3;2-5H,1H3;2*2-4H,1H3/q;;;;;;;;+1;;;
InChIKeyDMYNLPQJQFNUTL-UHFFFAOYSA-N
MW1394.99 g/mol
LogP17.61
Rot. Bonds

About 2-chloro-5-methyl-4-(trifluoromethyl)pyridine;2,3-dichloro-5-methylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;1-hydroxy-4-methylpyridin-1-ium;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine

2-chloro-5-methyl-4-(trifluoromethyl)pyridine;2,3-dichloro-5-methylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;1-hydroxy-4-methylpyridin-1-ium;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine (PubChem CID 160925721) has the molecular formula C74H88Cl3F3N17O+ and a molecular weight of 1394.99 g/mol. Its IUPAC name is 2-chloro-5-methyl-4-(trifluoromethyl)pyridine;2,3-dichloro-5-methylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;1-hydroxy-4-methylpyridin-1-ium;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine.

Molecular Properties

Compound Name2-chloro-5-methyl-4-(trifluoromethyl)pyridine;2,3-dichloro-5-methylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;1-hydroxy-4-methylpyridin-1-ium;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine
PubChem CID160925721
Molecular FormulaC74H88Cl3F3N17O+
Molecular Weight1394.99 g/mol
Exact Mass1392.64
IUPAC Name2-chloro-5-methyl-4-(trifluoromethyl)pyridine;2,3-dichloro-5-methylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;1-hydroxy-4-methylpyridin-1-ium;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine
SMILESCc1cc[n+](O)cc1.Cc1ccc(C)nc1.Cc1ccnc(C)c1.Cc1ccnc(C)n1.Cc1ccnc(C)n1.Cc1ccncc1.Cc1ccncc1C.Cc1ccncn1.Cc1cnc(C)nc1.Cc1cnc(Cl)c(Cl)c1.Cc1cnc(Cl)cc1C(F)(F)F.Cc1ncccn1
InChIInChI=1S/C7H5ClF3N.3C7H9N.C6H5Cl2N.3C6H8N2.C6H8NO.C6H7N.2C5H6N2/c1-4-3-12-6(8)2-5(4)7(9,10)11;1-6-3-4-8-5-7(6)2;1-6-3-4-8-7(2)5-6;1-6-3-4-7(2)8-5-6;1-4-2-5(7)6(8)9-3-4;1-5-3-7-6(2)8-4-5;2*1-5-3-4-7-6(2)8-5;1-6-2-4-7(8)5-3-6;1-6-2-4-7-5-3-6;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5/h2-3H,1H3;3*3-5H,1-2H3;2-3H,1H3;3*3-4H,1-2H3;2-5,8H,1H3;2-5H,1H3;2*2-4H,1H3/q;;;;;;;;+1;;;
InChIKeyDMYNLPQJQFNUTL-UHFFFAOYSA-N
XLogP17.61
TPSA230.35 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001394.99
LogP ≤ 517.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 2-chloro-5-methyl-4-(trifluoromethyl)pyridine;2,3-dichloro-5-methylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;1-hydroxy-4-methylpyridin-1-ium;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine with MolForge

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Related Compounds

5-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-pyridinyl)pyrimidine
CID 1483822
5-chloro-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 2796249
5-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-2-(pyridin-3-yl)pyrimidine
CID 1483825
4-[4-(4-Chloro-phenyl)-6-trifluoromethyl-pyrimidin-2-yl]-[2,4']bipyridinyl
CID 24760217
4-(3-Chloro-4-fluorophenyl)-2-(3-methylpyridin-2-yl)-6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidine
CID 57761182
4-(3-Chloro-4-fluorophenyl)-2,6-bis[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidine
CID 57761221
4-[(2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]-6-(3,4-difluorophenyl)-2-(4-propylpiperazin-1-yl)pyrimidine
CID 57761667
4-(5-chloropyridin-3-yl)-N,N-diethyl-6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidin-2-amine
CID 57761780
4-(3-Chloro-4-fluorophenyl)-2-(1-oxidopyridin-1-ium-4-yl)-6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidine
CID 57761812
4-[4-(4-Chloro-phenyl)-6-trifluoromethyl-pyrimidin-2-yl]-[2,3]bipyridinyl
CID 68692507
2-(2-Chloro-pyridin-4-yl)-4-difluoromethyl-6-(6-trifluoromethyl-pyridin-3-yl)-pyrimidine
CID 86624633
2-(2-Chloro-pyridin-4-yl)-4-methyl-6-(6-trifluoromethyl-pyridin-3-yl)-pyrimidine
CID 86624635

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-4-(trifluoromethyl)pyridine;2,3-dichloro-5-methylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;1-hydroxy-4-methylpyridin-1-ium;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine?
The IUPAC name of 2-chloro-5-methyl-4-(trifluoromethyl)pyridine;2,3-dichloro-5-methylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;1-hydroxy-4-methylpyridin-1-ium;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine (CID 160925721) is 2-chloro-5-methyl-4-(trifluoromethyl)pyridine;2,3-dichloro-5-methylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;1-hydroxy-4-methylpyridin-1-ium;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine.
What is the SMILES notation for 2-chloro-5-methyl-4-(trifluoromethyl)pyridine;2,3-dichloro-5-methylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;1-hydroxy-4-methylpyridin-1-ium;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine?
The canonical SMILES for 2-chloro-5-methyl-4-(trifluoromethyl)pyridine;2,3-dichloro-5-methylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;1-hydroxy-4-methylpyridin-1-ium;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine is Cc1cc[n+](O)cc1.Cc1ccc(C)nc1.Cc1ccnc(C)c1.Cc1ccnc(C)n1.Cc1ccnc(C)n1.Cc1ccncc1.Cc1ccncc1C.Cc1ccncn1.Cc1cnc(C)nc1.Cc1cnc(Cl)c(Cl)c1.Cc1cnc(Cl)cc1C(F)(F)F.Cc1ncccn1.
What is the InChIKey of 2-chloro-5-methyl-4-(trifluoromethyl)pyridine;2,3-dichloro-5-methylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;1-hydroxy-4-methylpyridin-1-ium;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine?
The InChIKey is DMYNLPQJQFNUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3N.3C7H9N.C6H5Cl2N.3C6H8N2.C6H8NO.C6H7N.2C5H6N2/c1-4-3-12-6(8)2-5(4)7(9,10)11;1-6-3-4-8-5-7(6)2;1-6-3-4-8-7(2)5-6;1-6-3-4-7(2)8-5-6;1-4-2-5(7)6(8)9-3-4;1-5-3-7-6(2)8-4-5;2*1-5-3-4-7-6(2)8-5;1-6-2-4-7(8)5-3-6;1-6-2-4-7-5-3-6;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5/h2-3H,1H3;3*3-5H,1-2H3;2-3H,1H3;3*3-4H,1-2H3;2-5,8H,1H3;2-5H,1H3;2*2-4H,1H3/q;;;;;;;;+1;;;.
What are the key properties of 2-chloro-5-methyl-4-(trifluoromethyl)pyridine;2,3-dichloro-5-methylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;1-hydroxy-4-methylpyridin-1-ium;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine?
2-chloro-5-methyl-4-(trifluoromethyl)pyridine;2,3-dichloro-5-methylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;1-hydroxy-4-methylpyridin-1-ium;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine has a molecular weight of 1394.99 g/mol, XLogP of 17.61, 0 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-4-(trifluoromethyl)pyridine;2,3-dichloro-5-methylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;bis(2,4-dimethylpyrimidine);2,5-dimethylpyrimidine;1-hydroxy-4-methylpyridin-1-ium;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine is sourced from PubChem (CID 160925721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).