4-(2-chloro-4-methylphenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(3-chlorophenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(2,6-dichloro-3-methylphenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;6-(3-hydroxyphenyl)-2-methyl-4-(3-methylphenyl)pyridine-3-carbonitrile;6-(3-hydroxyphenyl)-2-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-3-carbonitrile;methane
C101H77Cl4F3N10O5 — CID 159027986
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC4-(2-chloro-4-methylphenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(3-chlorophenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(2,6-dichloro-3-methylphenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;6-(3-hydroxyphenyl)-2-methyl-4-(3-methylphenyl)pyridine-3-carbonitrile;6-(3-hydroxyphenyl)-2-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-3-carbonitrile;methane
SMILESC.Cc1cc(-c2cc(-c3cccc(O)c3)nc(C)c2C#N)cc(C(F)(F)F)c1.Cc1ccc(-c2cc(-c3cccc(O)c3)nc(C)c2C#N)c(Cl)c1.Cc1ccc(Cl)c(-c2cc(-c3cccc(O)c3)nc(C)c2C#N)c1Cl.Cc1cccc(-c2cc(-c3cccc(O)c3)nc(C)c2C#N)c1.Cc1nc(-c2cccc(O)c2)cc(-c2cccc(Cl)c2)c1C#N
InChIInChI=1S/C21H15F3N2O.C20H14Cl2N2O.C20H15ClN2O.C20H16N2O.C19H13ClN2O.CH4/c1-12-6-15(8-16(7-12)21(22,23)24)18-10-20(26-13(2)19(18)11-25)14-4-3-5-17(27)9-14;1-11-6-7-17(21)19(20(11)22)15-9-18(24-12(2)16(15)10-23)13-4-3-5-14(25)8-13;1-12-6-7-16(19(21)8-12)17-10-20(23-13(2)18(17)11-22)14-4-3-5-15(24)9-14;1-13-5-3-6-15(9-13)18-11-20(22-14(2)19(18)12-21)16-7-4-8-17(23)10-16;1-12-18(11-21)17(13-4-2-6-15(20)8-13)10-19(22-12)14-5-3-7-16(23)9-14;/h3-10,27H,1-2H3;3-9,25H,1-2H3;3-10,24H,1-2H3;3-11,23H,1-2H3;2-10,23H,1H3;1H4
InChIKeyJUNBUIYXDDSQMO-UHFFFAOYSA-N
MW1709.60 g/mol
LogP27.01
Rot. Bonds10
About 4-(2-chloro-4-methylphenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(3-chlorophenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(2,6-dichloro-3-methylphenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;6-(3-hydroxyphenyl)-2-methyl-4-(3-methylphenyl)pyridine-3-carbonitrile;6-(3-hydroxyphenyl)-2-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-3-carbonitrile;methane
4-(2-chloro-4-methylphenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(3-chlorophenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(2,6-dichloro-3-methylphenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;6-(3-hydroxyphenyl)-2-methyl-4-(3-methylphenyl)pyridine-3-carbonitrile;6-(3-hydroxyphenyl)-2-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-3-carbonitrile;methane (PubChem CID 159027986) has the molecular formula C101H77Cl4F3N10O5 and a molecular weight of 1709.60 g/mol. Its IUPAC name is 4-(2-chloro-4-methylphenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(3-chlorophenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(2,6-dichloro-3-methylphenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;6-(3-hydroxyphenyl)-2-methyl-4-(3-methylphenyl)pyridine-3-carbonitrile;6-(3-hydroxyphenyl)-2-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-3-carbonitrile;methane.
Molecular Properties
| Compound Name | 4-(2-chloro-4-methylphenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(3-chlorophenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(2,6-dichloro-3-methylphenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;6-(3-hydroxyphenyl)-2-methyl-4-(3-methylphenyl)pyridine-3-carbonitrile;6-(3-hydroxyphenyl)-2-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-3-carbonitrile;methane |
|---|---|
| PubChem CID | 159027986 |
| Molecular Formula | C101H77Cl4F3N10O5 |
| Molecular Weight | 1709.60 g/mol |
| Exact Mass | 1706.48 |
| IUPAC Name | 4-(2-chloro-4-methylphenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(3-chlorophenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(2,6-dichloro-3-methylphenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;6-(3-hydroxyphenyl)-2-methyl-4-(3-methylphenyl)pyridine-3-carbonitrile;6-(3-hydroxyphenyl)-2-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-3-carbonitrile;methane |
| SMILES | C.Cc1cc(-c2cc(-c3cccc(O)c3)nc(C)c2C#N)cc(C(F)(F)F)c1.Cc1ccc(-c2cc(-c3cccc(O)c3)nc(C)c2C#N)c(Cl)c1.Cc1ccc(Cl)c(-c2cc(-c3cccc(O)c3)nc(C)c2C#N)c1Cl.Cc1cccc(-c2cc(-c3cccc(O)c3)nc(C)c2C#N)c1.Cc1nc(-c2cccc(O)c2)cc(-c2cccc(Cl)c2)c1C#N |
| InChI | InChI=1S/C21H15F3N2O.C20H14Cl2N2O.C20H15ClN2O.C20H16N2O.C19H13ClN2O.CH4/c1-12-6-15(8-16(7-12)21(22,23)24)18-10-20(26-13(2)19(18)11-25)14-4-3-5-17(27)9-14;1-11-6-7-17(21)19(20(11)22)15-9-18(24-12(2)16(15)10-23)13-4-3-5-14(25)8-13;1-12-6-7-16(19(21)8-12)17-10-20(23-13(2)18(17)11-22)14-4-3-5-15(24)9-14;1-13-5-3-6-15(9-13)18-11-20(22-14(2)19(18)12-21)16-7-4-8-17(23)10-16;1-12-18(11-21)17(13-4-2-6-15(20)8-13)10-19(22-12)14-5-3-7-16(23)9-14;/h3-10,27H,1-2H3;3-9,25H,1-2H3;3-10,24H,1-2H3;3-11,23H,1-2H3;2-10,23H,1H3;1H4 |
| InChIKey | JUNBUIYXDDSQMO-UHFFFAOYSA-N |
| XLogP | 27.01 |
| TPSA | 284.55 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 10 |
| Heavy Atoms | 123 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1709.60 |
| LogP ≤ 5 | 27.01 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 15 |
Frequently Asked Questions
What is the IUPAC name of 4-(2-chloro-4-methylphenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(3-chlorophenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(2,6-dichloro-3-methylphenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;6-(3-hydroxyphenyl)-2-methyl-4-(3-methylphenyl)pyridine-3-carbonitrile;6-(3-hydroxyphenyl)-2-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-3-carbonitrile;methane?
The IUPAC name of 4-(2-chloro-4-methylphenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(3-chlorophenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(2,6-dichloro-3-methylphenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;6-(3-hydroxyphenyl)-2-methyl-4-(3-methylphenyl)pyridine-3-carbonitrile;6-(3-hydroxyphenyl)-2-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-3-carbonitrile;methane (CID 159027986) is 4-(2-chloro-4-methylphenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(3-chlorophenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(2,6-dichloro-3-methylphenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;6-(3-hydroxyphenyl)-2-methyl-4-(3-methylphenyl)pyridine-3-carbonitrile;6-(3-hydroxyphenyl)-2-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-3-carbonitrile;methane.
What is the SMILES notation for 4-(2-chloro-4-methylphenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(3-chlorophenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(2,6-dichloro-3-methylphenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;6-(3-hydroxyphenyl)-2-methyl-4-(3-methylphenyl)pyridine-3-carbonitrile;6-(3-hydroxyphenyl)-2-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-3-carbonitrile;methane?
The canonical SMILES for 4-(2-chloro-4-methylphenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(3-chlorophenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(2,6-dichloro-3-methylphenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;6-(3-hydroxyphenyl)-2-methyl-4-(3-methylphenyl)pyridine-3-carbonitrile;6-(3-hydroxyphenyl)-2-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-3-carbonitrile;methane is C.Cc1cc(-c2cc(-c3cccc(O)c3)nc(C)c2C#N)cc(C(F)(F)F)c1.Cc1ccc(-c2cc(-c3cccc(O)c3)nc(C)c2C#N)c(Cl)c1.Cc1ccc(Cl)c(-c2cc(-c3cccc(O)c3)nc(C)c2C#N)c1Cl.Cc1cccc(-c2cc(-c3cccc(O)c3)nc(C)c2C#N)c1.Cc1nc(-c2cccc(O)c2)cc(-c2cccc(Cl)c2)c1C#N.
What is the InChIKey of 4-(2-chloro-4-methylphenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(3-chlorophenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(2,6-dichloro-3-methylphenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;6-(3-hydroxyphenyl)-2-methyl-4-(3-methylphenyl)pyridine-3-carbonitrile;6-(3-hydroxyphenyl)-2-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-3-carbonitrile;methane?
The InChIKey is JUNBUIYXDDSQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O.C20H14Cl2N2O.C20H15ClN2O.C20H16N2O.C19H13ClN2O.CH4/c1-12-6-15(8-16(7-12)21(22,23)24)18-10-20(26-13(2)19(18)11-25)14-4-3-5-17(27)9-14;1-11-6-7-17(21)19(20(11)22)15-9-18(24-12(2)16(15)10-23)13-4-3-5-14(25)8-13;1-12-6-7-16(19(21)8-12)17-10-20(23-13(2)18(17)11-22)14-4-3-5-15(24)9-14;1-13-5-3-6-15(9-13)18-11-20(22-14(2)19(18)12-21)16-7-4-8-17(23)10-16;1-12-18(11-21)17(13-4-2-6-15(20)8-13)10-19(22-12)14-5-3-7-16(23)9-14;/h3-10,27H,1-2H3;3-9,25H,1-2H3;3-10,24H,1-2H3;3-11,23H,1-2H3;2-10,23H,1H3;1H4.
What are the key properties of 4-(2-chloro-4-methylphenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(3-chlorophenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(2,6-dichloro-3-methylphenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;6-(3-hydroxyphenyl)-2-methyl-4-(3-methylphenyl)pyridine-3-carbonitrile;6-(3-hydroxyphenyl)-2-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-3-carbonitrile;methane?
4-(2-chloro-4-methylphenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(3-chlorophenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(2,6-dichloro-3-methylphenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;6-(3-hydroxyphenyl)-2-methyl-4-(3-methylphenyl)pyridine-3-carbonitrile;6-(3-hydroxyphenyl)-2-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-3-carbonitrile;methane has a molecular weight of 1709.60 g/mol, XLogP of 27.01, 10 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-methylphenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(3-chlorophenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(2,6-dichloro-3-methylphenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;6-(3-hydroxyphenyl)-2-methyl-4-(3-methylphenyl)pyridine-3-carbonitrile;6-(3-hydroxyphenyl)-2-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-3-carbonitrile;methane is sourced from PubChem (CID 159027986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159027986 — identifiers, structure, computed properties (public domain)
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