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

C66H74Cl5F3N10 — CID 158714829

IUPAC3-chloro-2-methyl-5-(trifluoromethyl)pyridine;2,3-dichloro-5-methylpyridine;2,3-dichloro-6-methylpyridine;2,4-dimethylpyridine;bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;2-methylpyridine;3-methylpyridine
SMILESCc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(Cl)c(Cl)n1.Cc1cccc(C)n1.Cc1ccccn1.Cc1cccnc1.Cc1ccnc(C)c1.Cc1cnc(Cl)c(Cl)c1.Cc1cncc(C)c1.Cc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C7H5ClF3N.5C7H9N.2C6H5Cl2N.2C6H7N/c1-4-6(8)2-5(3-12-4)7(9,10)11;1-6-3-7(2)5-8-4-6;1-6-3-4-8-7(2)5-6;2*1-6-3-4-7(2)8-5-6;1-6-4-3-5-7(2)8-6;1-4-2-5(7)6(8)9-3-4;1-4-2-3-5(7)6(8)9-4;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6/h2-3H,1H3;5*3-5H,1-2H3;2*2-3H,1H3;2*2-5H,1H3
InChIKeyIJEJIBCCZZDTRG-UHFFFAOYSA-N
MW1241.65 g/mol
LogP19.73
Rot. Bonds

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

3-chloro-2-methyl-5-(trifluoromethyl)pyridine;2,3-dichloro-5-methylpyridine;2,3-dichloro-6-methylpyridine;2,4-dimethylpyridine;bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;2-methylpyridine;3-methylpyridine (PubChem CID 158714829) has the molecular formula C66H74Cl5F3N10 and a molecular weight of 1241.65 g/mol. Its IUPAC name is 3-chloro-2-methyl-5-(trifluoromethyl)pyridine;2,3-dichloro-5-methylpyridine;2,3-dichloro-6-methylpyridine;2,4-dimethylpyridine;bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;2-methylpyridine;3-methylpyridine.

Molecular Properties

Compound Name3-chloro-2-methyl-5-(trifluoromethyl)pyridine;2,3-dichloro-5-methylpyridine;2,3-dichloro-6-methylpyridine;2,4-dimethylpyridine;bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;2-methylpyridine;3-methylpyridine
PubChem CID158714829
Molecular FormulaC66H74Cl5F3N10
Molecular Weight1241.65 g/mol
Exact Mass1238.45
IUPAC Name3-chloro-2-methyl-5-(trifluoromethyl)pyridine;2,3-dichloro-5-methylpyridine;2,3-dichloro-6-methylpyridine;2,4-dimethylpyridine;bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;2-methylpyridine;3-methylpyridine
SMILESCc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(Cl)c(Cl)n1.Cc1cccc(C)n1.Cc1ccccn1.Cc1cccnc1.Cc1ccnc(C)c1.Cc1cnc(Cl)c(Cl)c1.Cc1cncc(C)c1.Cc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C7H5ClF3N.5C7H9N.2C6H5Cl2N.2C6H7N/c1-4-6(8)2-5(3-12-4)7(9,10)11;1-6-3-7(2)5-8-4-6;1-6-3-4-8-7(2)5-6;2*1-6-3-4-7(2)8-5-6;1-6-4-3-5-7(2)8-6;1-4-2-5(7)6(8)9-3-4;1-4-2-3-5(7)6(8)9-4;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6/h2-3H,1H3;5*3-5H,1-2H3;2*2-3H,1H3;2*2-5H,1H3
InChIKeyIJEJIBCCZZDTRG-UHFFFAOYSA-N
XLogP19.73
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001241.65
LogP ≤ 519.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

Tetrakis(4-chloro-2-(4-chloro-2-pyridinyl)pyridine);bis(chlororuthenium(1+));bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)
CID 139238461
Bis(chloroiridium(2+));tetrakis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine)
CID 139242616
2,3-Dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine
CID 135084596
3-Chloro-2,6-dimethyl-5-[6-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]pyridin-3-yl]pyridine
CID 68757577
2-[2,6-Bis(6-pyridin-3-ylpyridin-2-yl)pyridin-4-yl]-6-phenyl-4-(trifluoromethyl)pyridine
CID 71134890
2,6-Bis[1,1-di(2-pyridyl)ethyl]-4-(trifluoromethyl)pyridine
CID 89877832
3-Chloro-5-[6-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-3-pyridinyl]-2,6-dimethylpyridine
CID 91579681
4-Heptyl-2-(4-heptyl-2-pyridinyl)pyridine;2-[4-(5,5,7,7,9,9-hexafluorodecyl)-2-pyridinyl]-4-(4,4,6,6,8,8,10,10,10-nonafluorodecyl)pyridine
CID 91581556
5-Chloro-3-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-3-pyridinyl]-2-ethylpyridine
CID 135246845
2,4-Dichloro-6-(3-chloro-2-pyridinyl)-5-(2,4-dichloro-3-pyridinyl)-3-(4-fluoro-3-pyridinyl)pyridine
CID 141091275
5-(2-Chloro-3-pyridinyl)-2-(4-chloro-2-pyridinyl)-6-fluoro-3-(3-fluoro-2-pyridinyl)-4-pyridin-3-ylpyridine
CID 141309322
2-(3-Chloro-2-pyridinyl)-3,5-difluoro-4-(6-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine
CID 141309324

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-5-(trifluoromethyl)pyridine;2,3-dichloro-5-methylpyridine;2,3-dichloro-6-methylpyridine;2,4-dimethylpyridine;bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;2-methylpyridine;3-methylpyridine?
The IUPAC name of 3-chloro-2-methyl-5-(trifluoromethyl)pyridine;2,3-dichloro-5-methylpyridine;2,3-dichloro-6-methylpyridine;2,4-dimethylpyridine;bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;2-methylpyridine;3-methylpyridine (CID 158714829) is 3-chloro-2-methyl-5-(trifluoromethyl)pyridine;2,3-dichloro-5-methylpyridine;2,3-dichloro-6-methylpyridine;2,4-dimethylpyridine;bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;2-methylpyridine;3-methylpyridine.
What is the SMILES notation for 3-chloro-2-methyl-5-(trifluoromethyl)pyridine;2,3-dichloro-5-methylpyridine;2,3-dichloro-6-methylpyridine;2,4-dimethylpyridine;bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;2-methylpyridine;3-methylpyridine?
The canonical SMILES for 3-chloro-2-methyl-5-(trifluoromethyl)pyridine;2,3-dichloro-5-methylpyridine;2,3-dichloro-6-methylpyridine;2,4-dimethylpyridine;bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;2-methylpyridine;3-methylpyridine is Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(Cl)c(Cl)n1.Cc1cccc(C)n1.Cc1ccccn1.Cc1cccnc1.Cc1ccnc(C)c1.Cc1cnc(Cl)c(Cl)c1.Cc1cncc(C)c1.Cc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-2-methyl-5-(trifluoromethyl)pyridine;2,3-dichloro-5-methylpyridine;2,3-dichloro-6-methylpyridine;2,4-dimethylpyridine;bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;2-methylpyridine;3-methylpyridine?
The InChIKey is IJEJIBCCZZDTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3N.5C7H9N.2C6H5Cl2N.2C6H7N/c1-4-6(8)2-5(3-12-4)7(9,10)11;1-6-3-7(2)5-8-4-6;1-6-3-4-8-7(2)5-6;2*1-6-3-4-7(2)8-5-6;1-6-4-3-5-7(2)8-6;1-4-2-5(7)6(8)9-3-4;1-4-2-3-5(7)6(8)9-4;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6/h2-3H,1H3;5*3-5H,1-2H3;2*2-3H,1H3;2*2-5H,1H3.
What are the key properties of 3-chloro-2-methyl-5-(trifluoromethyl)pyridine;2,3-dichloro-5-methylpyridine;2,3-dichloro-6-methylpyridine;2,4-dimethylpyridine;bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;2-methylpyridine;3-methylpyridine?
3-chloro-2-methyl-5-(trifluoromethyl)pyridine;2,3-dichloro-5-methylpyridine;2,3-dichloro-6-methylpyridine;2,4-dimethylpyridine;bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;2-methylpyridine;3-methylpyridine has a molecular weight of 1241.65 g/mol, XLogP of 19.73, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-5-(trifluoromethyl)pyridine;2,3-dichloro-5-methylpyridine;2,3-dichloro-6-methylpyridine;2,4-dimethylpyridine;bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;2-methylpyridine;3-methylpyridine is sourced from PubChem (CID 158714829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).