5-bromo-2-methylpyridine;2-bromo-1-[3-(trifluoromethoxy)phenyl]ethanone;6-bromo-2-[3-(trifluoromethoxy)phenyl]indolizine;2-chloro-4-methoxy-3-methylquinoline;4-methoxy-3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]indolizin-6-yl]quinoline;6-methyl-2-[3-(trifluoromethoxy)phenyl]indolizine;3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]indolizin-6-yl]-1H-quinolin-4-one

C108H79Br3ClF15N8O9 — CID 167692316

IUPAC5-bromo-2-methylpyridine;2-bromo-1-[3-(trifluoromethoxy)phenyl]ethanone;6-bromo-2-[3-(trifluoromethoxy)phenyl]indolizine;2-chloro-4-methoxy-3-methylquinoline;4-methoxy-3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]indolizin-6-yl]quinoline;6-methyl-2-[3-(trifluoromethoxy)phenyl]indolizine;3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]indolizin-6-yl]-1H-quinolin-4-one
SMILESCOc1c(C)c(-c2ccc3cc(-c4cccc(OC(F)(F)F)c4)cn3c2)nc2ccccc12.COc1c(C)c(Cl)nc2ccccc12.Cc1c(-c2ccc3cc(-c4cccc(OC(F)(F)F)c4)cn3c2)[nH]c2ccccc2c1=O.Cc1ccc(Br)cn1.Cc1ccc2cc(-c3cccc(OC(F)(F)F)c3)cn2c1.FC(F)(F)Oc1cccc(-c2cc3ccc(Br)cn3c2)c1.O=C(CBr)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C26H19F3N2O2.C25H17F3N2O2.C16H12F3NO.C15H9BrF3NO.C11H10ClNO.C9H6BrF3O2.C6H6BrN/c1-16-24(30-23-9-4-3-8-22(23)25(16)32-2)18-10-11-20-12-19(15-31(20)14-18)17-6-5-7-21(13-17)33-26(27,28)29;1-15-23(29-22-8-3-2-7-21(22)24(15)31)17-9-10-19-11-18(14-30(19)13-17)16-5-4-6-20(12-16)32-25(26,27)28;1-11-5-6-14-7-13(10-20(14)9-11)12-3-2-4-15(8-12)21-16(17,18)19;16-12-4-5-13-6-11(8-20(13)9-12)10-2-1-3-14(7-10)21-15(17,18)19;1-7-10(14-2)8-5-3-4-6-9(8)13-11(7)12;10-5-8(14)6-2-1-3-7(4-6)15-9(11,12)13;1-5-2-3-6(7)4-8-5/h3-15H,1-2H3;2-14H,1H3,(H,29,31);2-10H,1H3;1-9H;3-6H,1-2H3;1-4H,5H2;2-4H,1H3
InChIKeyXDBDAMXDVNTWLM-UHFFFAOYSA-N
MW2193.00 g/mol
LogP31.96
Rot. Bonds15

About 5-bromo-2-methylpyridine;2-bromo-1-[3-(trifluoromethoxy)phenyl]ethanone;6-bromo-2-[3-(trifluoromethoxy)phenyl]indolizine;2-chloro-4-methoxy-3-methylquinoline;4-methoxy-3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]indolizin-6-yl]quinoline;6-methyl-2-[3-(trifluoromethoxy)phenyl]indolizine;3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]indolizin-6-yl]-1H-quinolin-4-one

5-bromo-2-methylpyridine;2-bromo-1-[3-(trifluoromethoxy)phenyl]ethanone;6-bromo-2-[3-(trifluoromethoxy)phenyl]indolizine;2-chloro-4-methoxy-3-methylquinoline;4-methoxy-3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]indolizin-6-yl]quinoline;6-methyl-2-[3-(trifluoromethoxy)phenyl]indolizine;3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]indolizin-6-yl]-1H-quinolin-4-one (PubChem CID 167692316) has the molecular formula C108H79Br3ClF15N8O9 and a molecular weight of 2193.00 g/mol. Its IUPAC name is 5-bromo-2-methylpyridine;2-bromo-1-[3-(trifluoromethoxy)phenyl]ethanone;6-bromo-2-[3-(trifluoromethoxy)phenyl]indolizine;2-chloro-4-methoxy-3-methylquinoline;4-methoxy-3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]indolizin-6-yl]quinoline;6-methyl-2-[3-(trifluoromethoxy)phenyl]indolizine;3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]indolizin-6-yl]-1H-quinolin-4-one.

Molecular Properties

Compound Name5-bromo-2-methylpyridine;2-bromo-1-[3-(trifluoromethoxy)phenyl]ethanone;6-bromo-2-[3-(trifluoromethoxy)phenyl]indolizine;2-chloro-4-methoxy-3-methylquinoline;4-methoxy-3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]indolizin-6-yl]quinoline;6-methyl-2-[3-(trifluoromethoxy)phenyl]indolizine;3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]indolizin-6-yl]-1H-quinolin-4-one
PubChem CID167692316
Molecular FormulaC108H79Br3ClF15N8O9
Molecular Weight2193.00 g/mol
Exact Mass2188.30
IUPAC Name5-bromo-2-methylpyridine;2-bromo-1-[3-(trifluoromethoxy)phenyl]ethanone;6-bromo-2-[3-(trifluoromethoxy)phenyl]indolizine;2-chloro-4-methoxy-3-methylquinoline;4-methoxy-3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]indolizin-6-yl]quinoline;6-methyl-2-[3-(trifluoromethoxy)phenyl]indolizine;3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]indolizin-6-yl]-1H-quinolin-4-one
SMILESCOc1c(C)c(-c2ccc3cc(-c4cccc(OC(F)(F)F)c4)cn3c2)nc2ccccc12.COc1c(C)c(Cl)nc2ccccc12.Cc1c(-c2ccc3cc(-c4cccc(OC(F)(F)F)c4)cn3c2)[nH]c2ccccc2c1=O.Cc1ccc(Br)cn1.Cc1ccc2cc(-c3cccc(OC(F)(F)F)c3)cn2c1.FC(F)(F)Oc1cccc(-c2cc3ccc(Br)cn3c2)c1.O=C(CBr)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C26H19F3N2O2.C25H17F3N2O2.C16H12F3NO.C15H9BrF3NO.C11H10ClNO.C9H6BrF3O2.C6H6BrN/c1-16-24(30-23-9-4-3-8-22(23)25(16)32-2)18-10-11-20-12-19(15-31(20)14-18)17-6-5-7-21(13-17)33-26(27,28)29;1-15-23(29-22-8-3-2-7-21(22)24(15)31)17-9-10-19-11-18(14-30(19)13-17)16-5-4-6-20(12-16)32-25(26,27)28;1-11-5-6-14-7-13(10-20(14)9-11)12-3-2-4-15(8-12)21-16(17,18)19;16-12-4-5-13-6-11(8-20(13)9-12)10-2-1-3-14(7-10)21-15(17,18)19;1-7-10(14-2)8-5-3-4-6-9(8)13-11(7)12;10-5-8(14)6-2-1-3-7(4-6)15-9(11,12)13;1-5-2-3-6(7)4-8-5/h3-15H,1-2H3;2-14H,1H3,(H,29,31);2-10H,1H3;1-9H;3-6H,1-2H3;1-4H,5H2;2-4H,1H3
InChIKeyXDBDAMXDVNTWLM-UHFFFAOYSA-N
XLogP31.96
TPSA170.85 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds15
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002193.00
LogP ≤ 531.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 5-bromo-2-methylpyridine;2-bromo-1-[3-(trifluoromethoxy)phenyl]ethanone;6-bromo-2-[3-(trifluoromethoxy)phenyl]indolizine;2-chloro-4-methoxy-3-methylquinoline;4-methoxy-3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]indolizin-6-yl]quinoline;6-methyl-2-[3-(trifluoromethoxy)phenyl]indolizine;3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]indolizin-6-yl]-1H-quinolin-4-one with MolForge

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Related Compounds

2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-4-methoxy-3-methylquinoline;2-bromo-1-(4-methoxy-3-methylquinolin-2-yl)ethanone;5-bromopyridin-2-amine;2-chloro-4-methoxy-3-methylquinoline;fluoroform;(3-hydroxyphenyl)boronic acid;methane;1-(4-methoxy-3-methylquinolin-2-yl)ethanone;4-methoxy-3-methyl-2-[6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]quinoline;2-methylprop-1-ene;3-methyl-2-[6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-4-one;triiodo-lambda3-iodane;triiodide;hydroiodide
CID 167575909
5-bromo-2-methylpyridine;2-(5-bromo-2-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]ethanone;6-bromo-2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;2-chloro-4-methoxy-3-methylquinoline;methane;4-methoxy-3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridin-6-yl]quinoline;methyl 3-(trifluoromethoxy)benzoate;3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridin-6-yl]-1H-quinolin-4-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine
CID 167652917

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methylpyridine;2-bromo-1-[3-(trifluoromethoxy)phenyl]ethanone;6-bromo-2-[3-(trifluoromethoxy)phenyl]indolizine;2-chloro-4-methoxy-3-methylquinoline;4-methoxy-3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]indolizin-6-yl]quinoline;6-methyl-2-[3-(trifluoromethoxy)phenyl]indolizine;3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]indolizin-6-yl]-1H-quinolin-4-one?
The IUPAC name of 5-bromo-2-methylpyridine;2-bromo-1-[3-(trifluoromethoxy)phenyl]ethanone;6-bromo-2-[3-(trifluoromethoxy)phenyl]indolizine;2-chloro-4-methoxy-3-methylquinoline;4-methoxy-3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]indolizin-6-yl]quinoline;6-methyl-2-[3-(trifluoromethoxy)phenyl]indolizine;3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]indolizin-6-yl]-1H-quinolin-4-one (CID 167692316) is 5-bromo-2-methylpyridine;2-bromo-1-[3-(trifluoromethoxy)phenyl]ethanone;6-bromo-2-[3-(trifluoromethoxy)phenyl]indolizine;2-chloro-4-methoxy-3-methylquinoline;4-methoxy-3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]indolizin-6-yl]quinoline;6-methyl-2-[3-(trifluoromethoxy)phenyl]indolizine;3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]indolizin-6-yl]-1H-quinolin-4-one.
What is the SMILES notation for 5-bromo-2-methylpyridine;2-bromo-1-[3-(trifluoromethoxy)phenyl]ethanone;6-bromo-2-[3-(trifluoromethoxy)phenyl]indolizine;2-chloro-4-methoxy-3-methylquinoline;4-methoxy-3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]indolizin-6-yl]quinoline;6-methyl-2-[3-(trifluoromethoxy)phenyl]indolizine;3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]indolizin-6-yl]-1H-quinolin-4-one?
The canonical SMILES for 5-bromo-2-methylpyridine;2-bromo-1-[3-(trifluoromethoxy)phenyl]ethanone;6-bromo-2-[3-(trifluoromethoxy)phenyl]indolizine;2-chloro-4-methoxy-3-methylquinoline;4-methoxy-3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]indolizin-6-yl]quinoline;6-methyl-2-[3-(trifluoromethoxy)phenyl]indolizine;3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]indolizin-6-yl]-1H-quinolin-4-one is COc1c(C)c(-c2ccc3cc(-c4cccc(OC(F)(F)F)c4)cn3c2)nc2ccccc12.COc1c(C)c(Cl)nc2ccccc12.Cc1c(-c2ccc3cc(-c4cccc(OC(F)(F)F)c4)cn3c2)[nH]c2ccccc2c1=O.Cc1ccc(Br)cn1.Cc1ccc2cc(-c3cccc(OC(F)(F)F)c3)cn2c1.FC(F)(F)Oc1cccc(-c2cc3ccc(Br)cn3c2)c1.O=C(CBr)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 5-bromo-2-methylpyridine;2-bromo-1-[3-(trifluoromethoxy)phenyl]ethanone;6-bromo-2-[3-(trifluoromethoxy)phenyl]indolizine;2-chloro-4-methoxy-3-methylquinoline;4-methoxy-3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]indolizin-6-yl]quinoline;6-methyl-2-[3-(trifluoromethoxy)phenyl]indolizine;3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]indolizin-6-yl]-1H-quinolin-4-one?
The InChIKey is XDBDAMXDVNTWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F3N2O2.C25H17F3N2O2.C16H12F3NO.C15H9BrF3NO.C11H10ClNO.C9H6BrF3O2.C6H6BrN/c1-16-24(30-23-9-4-3-8-22(23)25(16)32-2)18-10-11-20-12-19(15-31(20)14-18)17-6-5-7-21(13-17)33-26(27,28)29;1-15-23(29-22-8-3-2-7-21(22)24(15)31)17-9-10-19-11-18(14-30(19)13-17)16-5-4-6-20(12-16)32-25(26,27)28;1-11-5-6-14-7-13(10-20(14)9-11)12-3-2-4-15(8-12)21-16(17,18)19;16-12-4-5-13-6-11(8-20(13)9-12)10-2-1-3-14(7-10)21-15(17,18)19;1-7-10(14-2)8-5-3-4-6-9(8)13-11(7)12;10-5-8(14)6-2-1-3-7(4-6)15-9(11,12)13;1-5-2-3-6(7)4-8-5/h3-15H,1-2H3;2-14H,1H3,(H,29,31);2-10H,1H3;1-9H;3-6H,1-2H3;1-4H,5H2;2-4H,1H3.
What are the key properties of 5-bromo-2-methylpyridine;2-bromo-1-[3-(trifluoromethoxy)phenyl]ethanone;6-bromo-2-[3-(trifluoromethoxy)phenyl]indolizine;2-chloro-4-methoxy-3-methylquinoline;4-methoxy-3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]indolizin-6-yl]quinoline;6-methyl-2-[3-(trifluoromethoxy)phenyl]indolizine;3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]indolizin-6-yl]-1H-quinolin-4-one?
5-bromo-2-methylpyridine;2-bromo-1-[3-(trifluoromethoxy)phenyl]ethanone;6-bromo-2-[3-(trifluoromethoxy)phenyl]indolizine;2-chloro-4-methoxy-3-methylquinoline;4-methoxy-3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]indolizin-6-yl]quinoline;6-methyl-2-[3-(trifluoromethoxy)phenyl]indolizine;3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]indolizin-6-yl]-1H-quinolin-4-one has a molecular weight of 2193.00 g/mol, XLogP of 31.96, 15 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methylpyridine;2-bromo-1-[3-(trifluoromethoxy)phenyl]ethanone;6-bromo-2-[3-(trifluoromethoxy)phenyl]indolizine;2-chloro-4-methoxy-3-methylquinoline;4-methoxy-3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]indolizin-6-yl]quinoline;6-methyl-2-[3-(trifluoromethoxy)phenyl]indolizine;3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]indolizin-6-yl]-1H-quinolin-4-one is sourced from PubChem (CID 167692316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).