1-(bromomethyl)-2,4-difluorobenzene;2-[3-[[1-[(2,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-5-fluoro-2-methylindol-1-yl]acetic acid;5-fluoro-2-methyl-1H-indole;6-methoxypyridine-3-carbaldehyde;methyl 2-bromoacetate;methyl 2-[3-[[1-[(2,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-5-fluoro-2-methylindol-1-yl]acetate;methyl 2-[5-fluoro-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylindol-1-yl]acetate;methyl 2-(5-fluoro-2-methylindol-1-yl)acetate

C106H96Br2F11N9O15 — CID 158308092

About 1-(bromomethyl)-2,4-difluorobenzene;2-[3-[[1-[(2,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-5-fluoro-2-methylindol-1-yl]acetic acid;5-fluoro-2-methyl-1H-indole;6-methoxypyridine-3-carbaldehyde;methyl 2-bromoacetate;methyl 2-[3-[[1-[(2,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-5-fluoro-2-methylindol-1-yl]acetate;methyl 2-[5-fluoro-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylindol-1-yl]acetate;methyl 2-(5-fluoro-2-methylindol-1-yl)acetate

1-(bromomethyl)-2,4-difluorobenzene;2-[3-[[1-[(2,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-5-fluoro-2-methylindol-1-yl]acetic acid;5-fluoro-2-methyl-1H-indole;6-methoxypyridine-3-carbaldehyde;methyl 2-bromoacetate;methyl 2-[3-[[1-[(2,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-5-fluoro-2-methylindol-1-yl]acetate;methyl 2-[5-fluoro-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylindol-1-yl]acetate;methyl 2-(5-fluoro-2-methylindol-1-yl)acetate (PubChem CID 158308092) has the molecular formula C106H96Br2F11N9O15 and a molecular weight of 2104.77 g/mol. Its IUPAC name is 1-(bromomethyl)-2,4-difluorobenzene;2-[3-[[1-[(2,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-5-fluoro-2-methylindol-1-yl]acetic acid;5-fluoro-2-methyl-1H-indole;6-methoxypyridine-3-carbaldehyde;methyl 2-bromoacetate;methyl 2-[3-[[1-[(2,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-5-fluoro-2-methylindol-1-yl]acetate;methyl 2-[5-fluoro-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylindol-1-yl]acetate;methyl 2-(5-fluoro-2-methylindol-1-yl)acetate.

Molecular Properties

• Compound Name: 1-(bromomethyl)-2,4-difluorobenzene;2-[3-[[1-[(2,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-5-fluoro-2-methylindol-1-yl]acetic acid;5-fluoro-2-methyl-1H-indole;6-methoxypyridine-3-carbaldehyde;methyl 2-bromoacetate;methyl 2-[3-[[1-[(2,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-5-fluoro-2-methylindol-1-yl]acetate;methyl 2-[5-fluoro-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylindol-1-yl]acetate;methyl 2-(5-fluoro-2-methylindol-1-yl)acetate
• PubChem CID: 158308092
• Molecular Formula: C106H96Br2F11N9O15
• Molecular Weight: 2104.77 g/mol
• Exact Mass: 2101.52
• IUPAC Name: 1-(bromomethyl)-2,4-difluorobenzene;2-[3-[[1-[(2,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-5-fluoro-2-methylindol-1-yl]acetic acid;5-fluoro-2-methyl-1H-indole;6-methoxypyridine-3-carbaldehyde;methyl 2-bromoacetate;methyl 2-[3-[[1-[(2,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-5-fluoro-2-methylindol-1-yl]acetate;methyl 2-[5-fluoro-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylindol-1-yl]acetate;methyl 2-(5-fluoro-2-methylindol-1-yl)acetate
• SMILES: COC(=O)CBr.COC(=O)Cn1c(C)c(Cc2ccc(=O)n(Cc3ccc(F)cc3F)c2)c2cc(F)ccc21.COC(=O)Cn1c(C)c(Cc2ccc(OC)nc2)c2cc(F)ccc21.COC(=O)Cn1c(C)cc2cc(F)ccc21.COc1ccc(C=O)cn1.Cc1c(Cc2ccc(=O)n(Cc3ccc(F)cc3F)c2)c2cc(F)ccc2n1CC(=O)O.Cc1cc2cc(F)ccc2[nH]1.Fc1ccc(CBr)c(F)c1
• InChI: InChI=1S/C25H21F3N2O3.C24H19F3N2O3.C19H19FN2O3.C12H12FNO2.C9H8FN.C7H5BrF2.C7H7NO2.C3H5BrO2/c1-15-20(21-10-18(26)6-7-23(21)30(15)14-25(32)33-2)9-16-3-8-24(31)29(12-16)13-17-4-5-19(27)11-22(17)28;1-14-19(20-9-17(25)5-6-22(20)29(14)13-24(31)32)8-15-2-7-23(30)28(11-15)12-16-3-4-18(26)10-21(16)27;1-12-15(8-13-4-7-18(24-2)21-10-13)16-9-14(20)5-6-17(16)22(12)11-19(23)25-3;1-8-5-9-6-10(13)3-4-11(9)14(8)7-12(15)16-2;1-6-4-7-5-8(10)2-3-9(7)11-6;8-4-5-1-2-6(9)3-7(5)10;1-10-7-3-2-6(5-9)4-8-7;1-6-3(5)2-4/h3-8,10-12H,9,13-14H2,1-2H3;2-7,9-11H,8,12-13H2,1H3,(H,31,32);4-7,9-10H,8,11H2,1-3H3;3-6H,7H2,1-2H3;2-5,11H,1H3;1-3H,4H2;2-5H,1H3;2H2,1H3
• InChIKey: GNIMCZZJEZWLSN-UHFFFAOYSA-N
• XLogP: 21.04
• TPSA: 283.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 23
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2104.77
LogP ≤ 5	21.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-2,4-difluorobenzene;2-[3-[[1-[(2,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-5-fluoro-2-methylindol-1-yl]acetic acid;5-fluoro-2-methyl-1H-indole;6-methoxypyridine-3-carbaldehyde;methyl 2-bromoacetate;methyl 2-[3-[[1-[(2,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-5-fluoro-2-methylindol-1-yl]acetate;methyl 2-[5-fluoro-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylindol-1-yl]acetate;methyl 2-(5-fluoro-2-methylindol-1-yl)acetate?

The IUPAC name of 1-(bromomethyl)-2,4-difluorobenzene;2-[3-[[1-[(2,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-5-fluoro-2-methylindol-1-yl]acetic acid;5-fluoro-2-methyl-1H-indole;6-methoxypyridine-3-carbaldehyde;methyl 2-bromoacetate;methyl 2-[3-[[1-[(2,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-5-fluoro-2-methylindol-1-yl]acetate;methyl 2-[5-fluoro-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylindol-1-yl]acetate;methyl 2-(5-fluoro-2-methylindol-1-yl)acetate (CID 158308092) is 1-(bromomethyl)-2,4-difluorobenzene;2-[3-[[1-[(2,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-5-fluoro-2-methylindol-1-yl]acetic acid;5-fluoro-2-methyl-1H-indole;6-methoxypyridine-3-carbaldehyde;methyl 2-bromoacetate;methyl 2-[3-[[1-[(2,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-5-fluoro-2-methylindol-1-yl]acetate;methyl 2-[5-fluoro-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylindol-1-yl]acetate;methyl 2-(5-fluoro-2-methylindol-1-yl)acetate.

What is the SMILES notation for 1-(bromomethyl)-2,4-difluorobenzene;2-[3-[[1-[(2,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-5-fluoro-2-methylindol-1-yl]acetic acid;5-fluoro-2-methyl-1H-indole;6-methoxypyridine-3-carbaldehyde;methyl 2-bromoacetate;methyl 2-[3-[[1-[(2,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-5-fluoro-2-methylindol-1-yl]acetate;methyl 2-[5-fluoro-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylindol-1-yl]acetate;methyl 2-(5-fluoro-2-methylindol-1-yl)acetate?

The canonical SMILES for 1-(bromomethyl)-2,4-difluorobenzene;2-[3-[[1-[(2,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-5-fluoro-2-methylindol-1-yl]acetic acid;5-fluoro-2-methyl-1H-indole;6-methoxypyridine-3-carbaldehyde;methyl 2-bromoacetate;methyl 2-[3-[[1-[(2,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-5-fluoro-2-methylindol-1-yl]acetate;methyl 2-[5-fluoro-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylindol-1-yl]acetate;methyl 2-(5-fluoro-2-methylindol-1-yl)acetate is COC(=O)CBr.COC(=O)Cn1c(C)c(Cc2ccc(=O)n(Cc3ccc(F)cc3F)c2)c2cc(F)ccc21.COC(=O)Cn1c(C)c(Cc2ccc(OC)nc2)c2cc(F)ccc21.COC(=O)Cn1c(C)cc2cc(F)ccc21.COc1ccc(C=O)cn1.Cc1c(Cc2ccc(=O)n(Cc3ccc(F)cc3F)c2)c2cc(F)ccc2n1CC(=O)O.Cc1cc2cc(F)ccc2[nH]1.Fc1ccc(CBr)c(F)c1.

What is the InChIKey of 1-(bromomethyl)-2,4-difluorobenzene;2-[3-[[1-[(2,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-5-fluoro-2-methylindol-1-yl]acetic acid;5-fluoro-2-methyl-1H-indole;6-methoxypyridine-3-carbaldehyde;methyl 2-bromoacetate;methyl 2-[3-[[1-[(2,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-5-fluoro-2-methylindol-1-yl]acetate;methyl 2-[5-fluoro-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylindol-1-yl]acetate;methyl 2-(5-fluoro-2-methylindol-1-yl)acetate?

The InChIKey is GNIMCZZJEZWLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N2O3.C24H19F3N2O3.C19H19FN2O3.C12H12FNO2.C9H8FN.C7H5BrF2.C7H7NO2.C3H5BrO2/c1-15-20(21-10-18(26)6-7-23(21)30(15)14-25(32)33-2)9-16-3-8-24(31)29(12-16)13-17-4-5-19(27)11-22(17)28;1-14-19(20-9-17(25)5-6-22(20)29(14)13-24(31)32)8-15-2-7-23(30)28(11-15)12-16-3-4-18(26)10-21(16)27;1-12-15(8-13-4-7-18(24-2)21-10-13)16-9-14(20)5-6-17(16)22(12)11-19(23)25-3;1-8-5-9-6-10(13)3-4-11(9)14(8)7-12(15)16-2;1-6-4-7-5-8(10)2-3-9(7)11-6;8-4-5-1-2-6(9)3-7(5)10;1-10-7-3-2-6(5-9)4-8-7;1-6-3(5)2-4/h3-8,10-12H,9,13-14H2,1-2H3;2-7,9-11H,8,12-13H2,1H3,(H,31,32);4-7,9-10H,8,11H2,1-3H3;3-6H,7H2,1-2H3;2-5,11H,1H3;1-3H,4H2;2-5H,1H3;2H2,1H3.

What are the key properties of 1-(bromomethyl)-2,4-difluorobenzene;2-[3-[[1-[(2,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-5-fluoro-2-methylindol-1-yl]acetic acid;5-fluoro-2-methyl-1H-indole;6-methoxypyridine-3-carbaldehyde;methyl 2-bromoacetate;methyl 2-[3-[[1-[(2,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-5-fluoro-2-methylindol-1-yl]acetate;methyl 2-[5-fluoro-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylindol-1-yl]acetate;methyl 2-(5-fluoro-2-methylindol-1-yl)acetate?

1-(bromomethyl)-2,4-difluorobenzene;2-[3-[[1-[(2,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-5-fluoro-2-methylindol-1-yl]acetic acid;5-fluoro-2-methyl-1H-indole;6-methoxypyridine-3-carbaldehyde;methyl 2-bromoacetate;methyl 2-[3-[[1-[(2,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-5-fluoro-2-methylindol-1-yl]acetate;methyl 2-[5-fluoro-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylindol-1-yl]acetate;methyl 2-(5-fluoro-2-methylindol-1-yl)acetate has a molecular weight of 2104.77 g/mol, XLogP of 21.04, 23 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(bromomethyl)-2,4-difluorobenzene;2-[3-[[1-[(2,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-5-fluoro-2-methylindol-1-yl]acetic acid;5-fluoro-2-methyl-1H-indole;6-methoxypyridine-3-carbaldehyde;methyl 2-bromoacetate;methyl 2-[3-[[1-[(2,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-5-fluoro-2-methylindol-1-yl]acetate;methyl 2-[5-fluoro-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylindol-1-yl]acetate;methyl 2-(5-fluoro-2-methylindol-1-yl)acetate is sourced from PubChem (CID 158308092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).