6-bromopyridin-2-amine;ethyl 5-bromo-3-fluoroimidazo[1,2-a]pyridine-2-carboxylate;ethyl 5-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;ethyl 3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carboxylate;3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;(E)-4-[3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]but-3-en-2-one;1-methylpiperazine;3-methylpyridine-2-carbaldehyde

C86H101Br4F4N21O12 — CID 159170425

About 6-bromopyridin-2-amine;ethyl 5-bromo-3-fluoroimidazo[1,2-a]pyridine-2-carboxylate;ethyl 5-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;ethyl 3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carboxylate;3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;(E)-4-[3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]but-3-en-2-one;1-methylpiperazine;3-methylpyridine-2-carbaldehyde

6-bromopyridin-2-amine;ethyl 5-bromo-3-fluoroimidazo[1,2-a]pyridine-2-carboxylate;ethyl 5-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;ethyl 3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carboxylate;3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;(E)-4-[3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]but-3-en-2-one;1-methylpiperazine;3-methylpyridine-2-carbaldehyde (PubChem CID 159170425) has the molecular formula C86H101Br4F4N21O12 and a molecular weight of 2016.50 g/mol. Its IUPAC name is 6-bromopyridin-2-amine;ethyl 5-bromo-3-fluoroimidazo[1,2-a]pyridine-2-carboxylate;ethyl 5-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;ethyl 3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carboxylate;3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;(E)-4-[3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]but-3-en-2-one;1-methylpiperazine;3-methylpyridine-2-carbaldehyde.

Molecular Properties

• Compound Name: 6-bromopyridin-2-amine;ethyl 5-bromo-3-fluoroimidazo[1,2-a]pyridine-2-carboxylate;ethyl 5-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;ethyl 3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carboxylate;3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;(E)-4-[3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]but-3-en-2-one;1-methylpiperazine;3-methylpyridine-2-carbaldehyde
• PubChem CID: 159170425
• Molecular Formula: C86H101Br4F4N21O12
• Molecular Weight: 2016.50 g/mol
• Exact Mass: 2011.46
• IUPAC Name: 6-bromopyridin-2-amine;ethyl 5-bromo-3-fluoroimidazo[1,2-a]pyridine-2-carboxylate;ethyl 5-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;ethyl 3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carboxylate;3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;(E)-4-[3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]but-3-en-2-one;1-methylpiperazine;3-methylpyridine-2-carbaldehyde
• SMILES: CC(=O)/C=C/c1nc2cccc(N3CCN(C)CC3)n2c1F.CCOC(=O)C(=O)CBr.CCOC(=O)c1cn2c(Br)cccc2n1.CCOC(=O)c1nc2cccc(Br)n2c1F.CCOC(=O)c1nc2cccc(N3CCN(C)CC3)n2c1F.CN1CCN(c2cccc3nc(C=O)c(F)n23)CC1.CN1CCNCC1.Cc1cccnc1C=O.Nc1cccc(Br)n1
• InChI: InChI=1S/C16H19FN4O.C15H19FN4O2.C13H15FN4O.C10H8BrFN2O2.C10H9BrN2O2.C7H7NO.C5H5BrN2.C5H7BrO3.C5H12N2/c1-12(22)6-7-13-16(17)21-14(18-13)4-3-5-15(21)20-10-8-19(2)9-11-20;1-3-22-15(21)13-14(16)20-11(17-13)5-4-6-12(20)19-9-7-18(2)8-10-19;1-16-5-7-17(8-6-16)12-4-2-3-11-15-10(9-19)13(14)18(11)12;1-2-16-10(15)8-9(12)14-6(11)4-3-5-7(14)13-8;1-2-15-10(14)7-6-13-8(11)4-3-5-9(13)12-7;1-6-3-2-4-8-7(6)5-9;6-4-2-1-3-5(7)8-4;1-2-9-5(8)4(7)3-6;1-7-4-2-6-3-5-7/h3-7H,8-11H2,1-2H3;4-6H,3,7-10H2,1-2H3;2-4,9H,5-8H2,1H3;3-5H,2H2,1H3;3-6H,2H2,1H3;2-5H,1H3;1-3H,(H2,7,8);2-3H2,1H3;6H,2-5H2,1H3/b7-6+
• InChIKey: KLPQSRUYEIDROQ-GNHMDNPGSA-N
• XLogP: 11.62
• TPSA: 346.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 33
• Rotatable Bonds: 16
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2016.50
LogP ≤ 5	11.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromopyridin-2-amine;ethyl 5-bromo-3-fluoroimidazo[1,2-a]pyridine-2-carboxylate;ethyl 5-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;ethyl 3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carboxylate;3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;(E)-4-[3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]but-3-en-2-one;1-methylpiperazine;3-methylpyridine-2-carbaldehyde?

The IUPAC name of 6-bromopyridin-2-amine;ethyl 5-bromo-3-fluoroimidazo[1,2-a]pyridine-2-carboxylate;ethyl 5-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;ethyl 3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carboxylate;3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;(E)-4-[3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]but-3-en-2-one;1-methylpiperazine;3-methylpyridine-2-carbaldehyde (CID 159170425) is 6-bromopyridin-2-amine;ethyl 5-bromo-3-fluoroimidazo[1,2-a]pyridine-2-carboxylate;ethyl 5-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;ethyl 3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carboxylate;3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;(E)-4-[3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]but-3-en-2-one;1-methylpiperazine;3-methylpyridine-2-carbaldehyde.

What is the SMILES notation for 6-bromopyridin-2-amine;ethyl 5-bromo-3-fluoroimidazo[1,2-a]pyridine-2-carboxylate;ethyl 5-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;ethyl 3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carboxylate;3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;(E)-4-[3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]but-3-en-2-one;1-methylpiperazine;3-methylpyridine-2-carbaldehyde?

The canonical SMILES for 6-bromopyridin-2-amine;ethyl 5-bromo-3-fluoroimidazo[1,2-a]pyridine-2-carboxylate;ethyl 5-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;ethyl 3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carboxylate;3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;(E)-4-[3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]but-3-en-2-one;1-methylpiperazine;3-methylpyridine-2-carbaldehyde is CC(=O)/C=C/c1nc2cccc(N3CCN(C)CC3)n2c1F.CCOC(=O)C(=O)CBr.CCOC(=O)c1cn2c(Br)cccc2n1.CCOC(=O)c1nc2cccc(Br)n2c1F.CCOC(=O)c1nc2cccc(N3CCN(C)CC3)n2c1F.CN1CCN(c2cccc3nc(C=O)c(F)n23)CC1.CN1CCNCC1.Cc1cccnc1C=O.Nc1cccc(Br)n1.

What is the InChIKey of 6-bromopyridin-2-amine;ethyl 5-bromo-3-fluoroimidazo[1,2-a]pyridine-2-carboxylate;ethyl 5-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;ethyl 3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carboxylate;3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;(E)-4-[3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]but-3-en-2-one;1-methylpiperazine;3-methylpyridine-2-carbaldehyde?

The InChIKey is KLPQSRUYEIDROQ-GNHMDNPGSA-N. The full InChI is InChI=1S/C16H19FN4O.C15H19FN4O2.C13H15FN4O.C10H8BrFN2O2.C10H9BrN2O2.C7H7NO.C5H5BrN2.C5H7BrO3.C5H12N2/c1-12(22)6-7-13-16(17)21-14(18-13)4-3-5-15(21)20-10-8-19(2)9-11-20;1-3-22-15(21)13-14(16)20-11(17-13)5-4-6-12(20)19-9-7-18(2)8-10-19;1-16-5-7-17(8-6-16)12-4-2-3-11-15-10(9-19)13(14)18(11)12;1-2-16-10(15)8-9(12)14-6(11)4-3-5-7(14)13-8;1-2-15-10(14)7-6-13-8(11)4-3-5-9(13)12-7;1-6-3-2-4-8-7(6)5-9;6-4-2-1-3-5(7)8-4;1-2-9-5(8)4(7)3-6;1-7-4-2-6-3-5-7/h3-7H,8-11H2,1-2H3;4-6H,3,7-10H2,1-2H3;2-4,9H,5-8H2,1H3;3-5H,2H2,1H3;3-6H,2H2,1H3;2-5H,1H3;1-3H,(H2,7,8);2-3H2,1H3;6H,2-5H2,1H3/b7-6+;;;;;;;;.

What are the key properties of 6-bromopyridin-2-amine;ethyl 5-bromo-3-fluoroimidazo[1,2-a]pyridine-2-carboxylate;ethyl 5-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;ethyl 3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carboxylate;3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;(E)-4-[3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]but-3-en-2-one;1-methylpiperazine;3-methylpyridine-2-carbaldehyde?

6-bromopyridin-2-amine;ethyl 5-bromo-3-fluoroimidazo[1,2-a]pyridine-2-carboxylate;ethyl 5-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;ethyl 3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carboxylate;3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;(E)-4-[3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]but-3-en-2-one;1-methylpiperazine;3-methylpyridine-2-carbaldehyde has a molecular weight of 2016.50 g/mol, XLogP of 11.62, 16 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromopyridin-2-amine;ethyl 5-bromo-3-fluoroimidazo[1,2-a]pyridine-2-carboxylate;ethyl 5-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;ethyl 3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carboxylate;3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;(E)-4-[3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]but-3-en-2-one;1-methylpiperazine;3-methylpyridine-2-carbaldehyde is sourced from PubChem (CID 159170425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).