About 4-[2-[3-(1,1-difluoroethoxy)phenyl]pyrimidin-4-yl]benzoic acid;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrimidin-4-yl]benzoic acid;4-[2-(2-fluorophenyl)pyrimidin-4-yl]benzoic acid;bis(4-[2-(3-methylphenyl)pyrimidin-4-yl]benzoic acid);bis(4-[2-(4-methylphenyl)pyrimidin-4-yl]benzoic acid)
4-[2-[3-(1,1-difluoroethoxy)phenyl]pyrimidin-4-yl]benzoic acid;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrimidin-4-yl]benzoic acid;4-[2-(2-fluorophenyl)pyrimidin-4-yl]benzoic acid;bis(4-[2-(3-methylphenyl)pyrimidin-4-yl]benzoic acid);bis(4-[2-(4-methylphenyl)pyrimidin-4-yl]benzoic acid) (PubChem CID 160883767) has the molecular formula C127H95F5N14O15
and a molecular weight of 2152.23 g/mol. Its IUPAC name is 4-[2-[3-(1,1-difluoroethoxy)phenyl]pyrimidin-4-yl]benzoic acid;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrimidin-4-yl]benzoic acid;4-[2-(2-fluorophenyl)pyrimidin-4-yl]benzoic acid;bis(4-[2-(3-methylphenyl)pyrimidin-4-yl]benzoic acid);bis(4-[2-(4-methylphenyl)pyrimidin-4-yl]benzoic acid).
Analyze 4-[2-[3-(1,1-difluoroethoxy)phenyl]pyrimidin-4-yl]benzoic acid;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrimidin-4-yl]benzoic acid;4-[2-(2-fluorophenyl)pyrimidin-4-yl]benzoic acid;bis(4-[2-(3-methylphenyl)pyrimidin-4-yl]benzoic acid);bis(4-[2-(4-methylphenyl)pyrimidin-4-yl]benzoic acid) with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of 4-[2-[3-(1,1-difluoroethoxy)phenyl]pyrimidin-4-yl]benzoic acid;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrimidin-4-yl]benzoic acid;4-[2-(2-fluorophenyl)pyrimidin-4-yl]benzoic acid;bis(4-[2-(3-methylphenyl)pyrimidin-4-yl]benzoic acid);bis(4-[2-(4-methylphenyl)pyrimidin-4-yl]benzoic acid)?
The IUPAC name of 4-[2-[3-(1,1-difluoroethoxy)phenyl]pyrimidin-4-yl]benzoic acid;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrimidin-4-yl]benzoic acid;4-[2-(2-fluorophenyl)pyrimidin-4-yl]benzoic acid;bis(4-[2-(3-methylphenyl)pyrimidin-4-yl]benzoic acid);bis(4-[2-(4-methylphenyl)pyrimidin-4-yl]benzoic acid) (CID 160883767) is 4-[2-[3-(1,1-difluoroethoxy)phenyl]pyrimidin-4-yl]benzoic acid;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrimidin-4-yl]benzoic acid;4-[2-(2-fluorophenyl)pyrimidin-4-yl]benzoic acid;bis(4-[2-(3-methylphenyl)pyrimidin-4-yl]benzoic acid);bis(4-[2-(4-methylphenyl)pyrimidin-4-yl]benzoic acid).
What is the SMILES notation for 4-[2-[3-(1,1-difluoroethoxy)phenyl]pyrimidin-4-yl]benzoic acid;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrimidin-4-yl]benzoic acid;4-[2-(2-fluorophenyl)pyrimidin-4-yl]benzoic acid;bis(4-[2-(3-methylphenyl)pyrimidin-4-yl]benzoic acid);bis(4-[2-(4-methylphenyl)pyrimidin-4-yl]benzoic acid)?
The canonical SMILES for 4-[2-[3-(1,1-difluoroethoxy)phenyl]pyrimidin-4-yl]benzoic acid;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrimidin-4-yl]benzoic acid;4-[2-(2-fluorophenyl)pyrimidin-4-yl]benzoic acid;bis(4-[2-(3-methylphenyl)pyrimidin-4-yl]benzoic acid);bis(4-[2-(4-methylphenyl)pyrimidin-4-yl]benzoic acid) is CC(F)(F)Oc1cccc(-c2nccc(-c3ccc(C(=O)O)cc3)n2)c1.CC(F)(F)c1ccc(-c2nccc(-c3ccc(C(=O)O)cc3)n2)cc1.Cc1ccc(-c2nccc(-c3ccc(C(=O)O)cc3)n2)cc1.Cc1ccc(-c2nccc(-c3ccc(C(=O)O)cc3)n2)cc1.Cc1cccc(-c2nccc(-c3ccc(C(=O)O)cc3)n2)c1.Cc1cccc(-c2nccc(-c3ccc(C(=O)O)cc3)n2)c1.O=C(O)c1ccc(-c2ccnc(-c3ccccc3F)n2)cc1.
What is the InChIKey of 4-[2-[3-(1,1-difluoroethoxy)phenyl]pyrimidin-4-yl]benzoic acid;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrimidin-4-yl]benzoic acid;4-[2-(2-fluorophenyl)pyrimidin-4-yl]benzoic acid;bis(4-[2-(3-methylphenyl)pyrimidin-4-yl]benzoic acid);bis(4-[2-(4-methylphenyl)pyrimidin-4-yl]benzoic acid)?
The InChIKey is SNJFEKYWHMDZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N2O3.C19H14F2N2O2.4C18H14N2O2.C17H11FN2O2/c1-19(20,21)26-15-4-2-3-14(11-15)17-22-10-9-16(23-17)12-5-7-13(8-6-12)18(24)25;1-19(20,21)15-8-6-13(7-9-15)17-22-11-10-16(23-17)12-2-4-14(5-3-12)18(24)25;2*1-12-2-4-14(5-3-12)17-19-11-10-16(20-17)13-6-8-15(9-7-13)18(21)22;2*1-12-3-2-4-15(11-12)17-19-10-9-16(20-17)13-5-7-14(8-6-13)18(21)22;18-14-4-2-1-3-13(14)16-19-10-9-15(20-16)11-5-7-12(8-6-11)17(21)22/h2-11H,1H3,(H,24,25);2-11H,1H3,(H,24,25);4*2-11H,1H3,(H,21,22);1-10H,(H,21,22).
What are the key properties of 4-[2-[3-(1,1-difluoroethoxy)phenyl]pyrimidin-4-yl]benzoic acid;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrimidin-4-yl]benzoic acid;4-[2-(2-fluorophenyl)pyrimidin-4-yl]benzoic acid;bis(4-[2-(3-methylphenyl)pyrimidin-4-yl]benzoic acid);bis(4-[2-(4-methylphenyl)pyrimidin-4-yl]benzoic acid)?
4-[2-[3-(1,1-difluoroethoxy)phenyl]pyrimidin-4-yl]benzoic acid;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrimidin-4-yl]benzoic acid;4-[2-(2-fluorophenyl)pyrimidin-4-yl]benzoic acid;bis(4-[2-(3-methylphenyl)pyrimidin-4-yl]benzoic acid);bis(4-[2-(4-methylphenyl)pyrimidin-4-yl]benzoic acid) has a molecular weight of 2152.23 g/mol, XLogP of 28.04, 24 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(1,1-difluoroethoxy)phenyl]pyrimidin-4-yl]benzoic acid;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrimidin-4-yl]benzoic acid;4-[2-(2-fluorophenyl)pyrimidin-4-yl]benzoic acid;bis(4-[2-(3-methylphenyl)pyrimidin-4-yl]benzoic acid);bis(4-[2-(4-methylphenyl)pyrimidin-4-yl]benzoic acid) is sourced from PubChem (CID 160883767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).