4-bromopyridine;tert-butyl 3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;tert-butyl 6-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;2-chloroethanamine;1H-pyrrole;2-pyrrol-1-ylethanamine

C46H64BrClN10O4 — CID 160512203

About 4-bromopyridine;tert-butyl 3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;tert-butyl 6-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;2-chloroethanamine;1H-pyrrole;2-pyrrol-1-ylethanamine

4-bromopyridine;tert-butyl 3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;tert-butyl 6-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;2-chloroethanamine;1H-pyrrole;2-pyrrol-1-ylethanamine (PubChem CID 160512203) has the molecular formula C46H64BrClN10O4 and a molecular weight of 936.44 g/mol. Its IUPAC name is 4-bromopyridine;tert-butyl 3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;tert-butyl 6-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;2-chloroethanamine;1H-pyrrole;2-pyrrol-1-ylethanamine.

Molecular Properties

• Compound Name: 4-bromopyridine;tert-butyl 3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;tert-butyl 6-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;2-chloroethanamine;1H-pyrrole;2-pyrrol-1-ylethanamine
• PubChem CID: 160512203
• Molecular Formula: C46H64BrClN10O4
• Molecular Weight: 936.44 g/mol
• Exact Mass: 934.40
• IUPAC Name: 4-bromopyridine;tert-butyl 3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;tert-butyl 6-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;2-chloroethanamine;1H-pyrrole;2-pyrrol-1-ylethanamine
• SMILES: Brc1ccncc1.CC(C)(C)OC(=O)N1CCn2c(ccc2-c2ccncc2)C1.CC(C)(C)OC(=O)N1CCn2cccc2C1.NCCCl.NCCn1cccc1.c1cc[nH]c1
• InChI: InChI=1S/C17H21N3O2.C12H18N2O2.C6H10N2.C5H4BrN.C4H5N.C2H6ClN/c1-17(2,3)22-16(21)19-10-11-20-14(12-19)4-5-15(20)13-6-8-18-9-7-13;1-12(2,3)16-11(15)14-8-7-13-6-4-5-10(13)9-14;7-3-6-8-4-1-2-5-8;6-5-1-3-7-4-2-5;1-2-4-5-3-1;3-1-2-4/h4-9H,10-12H2,1-3H3;4-6H,7-9H2,1-3H3;1-2,4-5H,3,6-7H2;1-4H;1-5H;1-2,4H2
• InChIKey: QTEPPYGLSAIJLZ-UHFFFAOYSA-N
• XLogP: 9.03
• TPSA: 167.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	936.44
LogP ≤ 5	9.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'pyrrole_C(8)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-bromopyridine;tert-butyl 3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;tert-butyl 6-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;2-chloroethanamine;1H-pyrrole;2-pyrrol-1-ylethanamine?

The IUPAC name of 4-bromopyridine;tert-butyl 3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;tert-butyl 6-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;2-chloroethanamine;1H-pyrrole;2-pyrrol-1-ylethanamine (CID 160512203) is 4-bromopyridine;tert-butyl 3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;tert-butyl 6-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;2-chloroethanamine;1H-pyrrole;2-pyrrol-1-ylethanamine.

What is the SMILES notation for 4-bromopyridine;tert-butyl 3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;tert-butyl 6-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;2-chloroethanamine;1H-pyrrole;2-pyrrol-1-ylethanamine?

The canonical SMILES for 4-bromopyridine;tert-butyl 3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;tert-butyl 6-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;2-chloroethanamine;1H-pyrrole;2-pyrrol-1-ylethanamine is Brc1ccncc1.CC(C)(C)OC(=O)N1CCn2c(ccc2-c2ccncc2)C1.CC(C)(C)OC(=O)N1CCn2cccc2C1.NCCCl.NCCn1cccc1.c1cc[nH]c1.

What is the InChIKey of 4-bromopyridine;tert-butyl 3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;tert-butyl 6-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;2-chloroethanamine;1H-pyrrole;2-pyrrol-1-ylethanamine?

The InChIKey is QTEPPYGLSAIJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2.C12H18N2O2.C6H10N2.C5H4BrN.C4H5N.C2H6ClN/c1-17(2,3)22-16(21)19-10-11-20-14(12-19)4-5-15(20)13-6-8-18-9-7-13;1-12(2,3)16-11(15)14-8-7-13-6-4-5-10(13)9-14;7-3-6-8-4-1-2-5-8;6-5-1-3-7-4-2-5;1-2-4-5-3-1;3-1-2-4/h4-9H,10-12H2,1-3H3;4-6H,7-9H2,1-3H3;1-2,4-5H,3,6-7H2;1-4H;1-5H;1-2,4H2.

What are the key properties of 4-bromopyridine;tert-butyl 3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;tert-butyl 6-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;2-chloroethanamine;1H-pyrrole;2-pyrrol-1-ylethanamine?

4-bromopyridine;tert-butyl 3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;tert-butyl 6-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;2-chloroethanamine;1H-pyrrole;2-pyrrol-1-ylethanamine has a molecular weight of 936.44 g/mol, XLogP of 9.03, 4 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromopyridine;tert-butyl 3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;tert-butyl 6-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;2-chloroethanamine;1H-pyrrole;2-pyrrol-1-ylethanamine is sourced from PubChem (CID 160512203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).