4-(3-bromophenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;6-(4-hydroxyphenyl)-2-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-3-carbonitrile

C40H28BrF3N4O2 — CID 136651505

IUPAC4-(3-bromophenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;6-(4-hydroxyphenyl)-2-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
SMILESCc1cc(-c2cc(-c3ccc(O)cc3)nc(C)c2C#N)cc(C(F)(F)F)c1.Cc1nc(-c2cccc(O)c2)cc(-c2cccc(Br)c2)c1C#N
InChIInChI=1S/C21H15F3N2O.C19H13BrN2O/c1-12-7-15(9-16(8-12)21(22,23)24)18-10-20(26-13(2)19(18)11-25)14-3-5-17(27)6-4-14;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;2-10,23H,1H3
InChIKeyKDARGUUPDROVJM-UHFFFAOYSA-N
MW733.59 g/mol
LogP10.69
Rot. Bonds4

About 4-(3-bromophenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;6-(4-hydroxyphenyl)-2-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-3-carbonitrile

4-(3-bromophenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;6-(4-hydroxyphenyl)-2-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-3-carbonitrile (PubChem CID 136651505) has the molecular formula C40H28BrF3N4O2 and a molecular weight of 733.59 g/mol. Its IUPAC name is 4-(3-bromophenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;6-(4-hydroxyphenyl)-2-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(3-bromophenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;6-(4-hydroxyphenyl)-2-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
PubChem CID136651505
Molecular FormulaC40H28BrF3N4O2
Molecular Weight733.59 g/mol
Exact Mass732.13
IUPAC Name4-(3-bromophenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;6-(4-hydroxyphenyl)-2-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
SMILESCc1cc(-c2cc(-c3ccc(O)cc3)nc(C)c2C#N)cc(C(F)(F)F)c1.Cc1nc(-c2cccc(O)c2)cc(-c2cccc(Br)c2)c1C#N
InChIInChI=1S/C21H15F3N2O.C19H13BrN2O/c1-12-7-15(9-16(8-12)21(22,23)24)18-10-20(26-13(2)19(18)11-25)14-3-5-17(27)6-4-14;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;2-10,23H,1H3
InChIKeyKDARGUUPDROVJM-UHFFFAOYSA-N
XLogP10.69
TPSA113.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.59
LogP ≤ 510.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(3-bromophenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;6-(4-hydroxyphenyl)-2-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-3-carbonitrile 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

3-[6-(4-Hydroxyphenyl)-4-[3-(trifluoromethyl)phenyl]-2-pyridinyl]phenol
CID 168271398
4-Bromo-2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinoline-8-carbonitrile
CID 135489145
4-Bromo-6-[5-cyano-7-(3-fluoro-4-hydroxyphenyl)naphthalen-2-yl]peroxy-2-(3-fluoro-4-hydroxyphenyl)quinoline-8-carbonitrile
CID 149369800
4-(3-Bromophenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(2-chloro-3-methylphenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(2-chloro-4-methylphenyl)-6-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;4-(4-chloro-3-methylphenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;6-(4-hydroxyphenyl)-2-methyl-4-(3-methylphenyl)pyridine-3-carbonitrile;6-(4-hydroxyphenyl)-2-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 159739640
4-(3-Bromophenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile
CID 24889009
4-(3-Bromophenyl)-6-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile
CID 135900366
6-(3-Bromophenyl)-4-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile
CID 136622878
4-Bromo-2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinoline-8-carbonitrile;3-(3-fluoro-4-hydroxyphenyl)-6-hydroxynaphthalene-1-carbonitrile
CID 143744829
2-Bromo-6-[2-[6-[2-(3-bromo-2-hydroxy-5-methylphenyl)phenyl]-2-pyridinyl]phenyl]-4-methylphenol
CID 154622798
4-(2-Bromophenyl)-6-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile
CID 136216932
4-(4-Bromophenyl)-6-(4-hydroxyphenyl)-2-methylpyridine-3-carbonitrile
CID 136671135

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;6-(4-hydroxyphenyl)-2-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
The IUPAC name of 4-(3-bromophenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;6-(4-hydroxyphenyl)-2-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-3-carbonitrile (CID 136651505) is 4-(3-bromophenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;6-(4-hydroxyphenyl)-2-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(3-bromophenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;6-(4-hydroxyphenyl)-2-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 4-(3-bromophenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;6-(4-hydroxyphenyl)-2-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-3-carbonitrile is Cc1cc(-c2cc(-c3ccc(O)cc3)nc(C)c2C#N)cc(C(F)(F)F)c1.Cc1nc(-c2cccc(O)c2)cc(-c2cccc(Br)c2)c1C#N.
What is the InChIKey of 4-(3-bromophenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;6-(4-hydroxyphenyl)-2-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
The InChIKey is KDARGUUPDROVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O.C19H13BrN2O/c1-12-7-15(9-16(8-12)21(22,23)24)18-10-20(26-13(2)19(18)11-25)14-3-5-17(27)6-4-14;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;2-10,23H,1H3.
What are the key properties of 4-(3-bromophenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;6-(4-hydroxyphenyl)-2-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
4-(3-bromophenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;6-(4-hydroxyphenyl)-2-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-3-carbonitrile has a molecular weight of 733.59 g/mol, XLogP of 10.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-6-(3-hydroxyphenyl)-2-methylpyridine-3-carbonitrile;6-(4-hydroxyphenyl)-2-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 136651505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).