5-bromo-N-[(2-chlorophenyl)methyl]-6-fluoropyridin-2-amine;[6-[(2-chlorophenyl)methylamino]-2-fluoro-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;N-[(2-chlorophenyl)methyl]-6-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine;1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;bis(tri(propan-2-yl)silane)

C78H91BrCl3F3N12O2Si2 — CID 157339631

About 5-bromo-N-[(2-chlorophenyl)methyl]-6-fluoropyridin-2-amine;[6-[(2-chlorophenyl)methylamino]-2-fluoro-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;N-[(2-chlorophenyl)methyl]-6-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine;1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;bis(tri(propan-2-yl)silane)

5-bromo-N-[(2-chlorophenyl)methyl]-6-fluoropyridin-2-amine;[6-[(2-chlorophenyl)methylamino]-2-fluoro-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;N-[(2-chlorophenyl)methyl]-6-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine;1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;bis(tri(propan-2-yl)silane) (PubChem CID 157339631) has the molecular formula C78H91BrCl3F3N12O2Si2 and a molecular weight of 1528.10 g/mol. Its IUPAC name is 5-bromo-N-[(2-chlorophenyl)methyl]-6-fluoropyridin-2-amine;[6-[(2-chlorophenyl)methylamino]-2-fluoro-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;N-[(2-chlorophenyl)methyl]-6-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine;1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;bis(tri(propan-2-yl)silane).

Molecular Properties

• Compound Name: 5-bromo-N-[(2-chlorophenyl)methyl]-6-fluoropyridin-2-amine;[6-[(2-chlorophenyl)methylamino]-2-fluoro-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;N-[(2-chlorophenyl)methyl]-6-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine;1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;bis(tri(propan-2-yl)silane)
• PubChem CID: 157339631
• Molecular Formula: C78H91BrCl3F3N12O2Si2
• Molecular Weight: 1528.10 g/mol
• Exact Mass: 1524.51
• IUPAC Name: 5-bromo-N-[(2-chlorophenyl)methyl]-6-fluoropyridin-2-amine;[6-[(2-chlorophenyl)methylamino]-2-fluoro-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;N-[(2-chlorophenyl)methyl]-6-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine;1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;bis(tri(propan-2-yl)silane)
• SMILES: CC(C)[SiH](C(C)C)C(C)C.CC(C)[SiH](C(C)C)C(C)C.Fc1nc(NCc2ccccc2Cl)ccc1Br.Fc1nc(NCc2ccccc2Cl)ccc1Cc1c[nH]c2ncccc12.O=Cc1c[nH]c2ncccc12.OC(c1ccc(NCc2ccccc2Cl)nc1F)c1c[nH]c2ncccc12
• InChI: InChI=1S/C20H16ClFN4O.C20H16ClFN4.C12H9BrClFN2.2C9H22Si.C8H6N2O/c21-16-6-2-1-4-12(16)10-24-17-8-7-14(19(22)26-17)18(27)15-11-25-20-13(15)5-3-9-23-20;21-17-6-2-1-4-14(17)11-24-18-8-7-13(19(22)26-18)10-15-12-25-20-16(15)5-3-9-23-20;13-9-5-6-11(17-12(9)15)16-7-8-3-1-2-4-10(8)14;2*1-7(2)10(8(3)4)9(5)6;11-5-6-4-10-8-7(6)2-1-3-9-8/h1-9,11,18,27H,10H2,(H,23,25)(H,24,26);1-9,12H,10-11H2,(H,23,25)(H,24,26);1-6H,7H2,(H,16,17);2*7-10H,1-6H3;1-5H,(H,9,10)
• InChIKey: BGGAQVRJPZOMLM-UHFFFAOYSA-N
• XLogP: 21.91
• TPSA: 198.10 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 11
• Rotatable Bonds: 20
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1528.10
LogP ≤ 5	21.91
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-chlorophenyl)methyl]-6-fluoropyridin-2-amine;[6-[(2-chlorophenyl)methylamino]-2-fluoro-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;N-[(2-chlorophenyl)methyl]-6-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine;1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;bis(tri(propan-2-yl)silane)?

The IUPAC name of 5-bromo-N-[(2-chlorophenyl)methyl]-6-fluoropyridin-2-amine;[6-[(2-chlorophenyl)methylamino]-2-fluoro-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;N-[(2-chlorophenyl)methyl]-6-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine;1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;bis(tri(propan-2-yl)silane) (CID 157339631) is 5-bromo-N-[(2-chlorophenyl)methyl]-6-fluoropyridin-2-amine;[6-[(2-chlorophenyl)methylamino]-2-fluoro-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;N-[(2-chlorophenyl)methyl]-6-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine;1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;bis(tri(propan-2-yl)silane).

What is the SMILES notation for 5-bromo-N-[(2-chlorophenyl)methyl]-6-fluoropyridin-2-amine;[6-[(2-chlorophenyl)methylamino]-2-fluoro-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;N-[(2-chlorophenyl)methyl]-6-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine;1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;bis(tri(propan-2-yl)silane)?

The canonical SMILES for 5-bromo-N-[(2-chlorophenyl)methyl]-6-fluoropyridin-2-amine;[6-[(2-chlorophenyl)methylamino]-2-fluoro-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;N-[(2-chlorophenyl)methyl]-6-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine;1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;bis(tri(propan-2-yl)silane) is CC(C)[SiH](C(C)C)C(C)C.CC(C)[SiH](C(C)C)C(C)C.Fc1nc(NCc2ccccc2Cl)ccc1Br.Fc1nc(NCc2ccccc2Cl)ccc1Cc1c[nH]c2ncccc12.O=Cc1c[nH]c2ncccc12.OC(c1ccc(NCc2ccccc2Cl)nc1F)c1c[nH]c2ncccc12.

What is the InChIKey of 5-bromo-N-[(2-chlorophenyl)methyl]-6-fluoropyridin-2-amine;[6-[(2-chlorophenyl)methylamino]-2-fluoro-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;N-[(2-chlorophenyl)methyl]-6-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine;1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;bis(tri(propan-2-yl)silane)?

The InChIKey is BGGAQVRJPZOMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN4O.C20H16ClFN4.C12H9BrClFN2.2C9H22Si.C8H6N2O/c21-16-6-2-1-4-12(16)10-24-17-8-7-14(19(22)26-17)18(27)15-11-25-20-13(15)5-3-9-23-20;21-17-6-2-1-4-14(17)11-24-18-8-7-13(19(22)26-18)10-15-12-25-20-16(15)5-3-9-23-20;13-9-5-6-11(17-12(9)15)16-7-8-3-1-2-4-10(8)14;2*1-7(2)10(8(3)4)9(5)6;11-5-6-4-10-8-7(6)2-1-3-9-8/h1-9,11,18,27H,10H2,(H,23,25)(H,24,26);1-9,12H,10-11H2,(H,23,25)(H,24,26);1-6H,7H2,(H,16,17);2*7-10H,1-6H3;1-5H,(H,9,10).

What are the key properties of 5-bromo-N-[(2-chlorophenyl)methyl]-6-fluoropyridin-2-amine;[6-[(2-chlorophenyl)methylamino]-2-fluoro-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;N-[(2-chlorophenyl)methyl]-6-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine;1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;bis(tri(propan-2-yl)silane)?

5-bromo-N-[(2-chlorophenyl)methyl]-6-fluoropyridin-2-amine;[6-[(2-chlorophenyl)methylamino]-2-fluoro-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;N-[(2-chlorophenyl)methyl]-6-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine;1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;bis(tri(propan-2-yl)silane) has a molecular weight of 1528.10 g/mol, XLogP of 21.91, 20 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-[(2-chlorophenyl)methyl]-6-fluoropyridin-2-amine;[6-[(2-chlorophenyl)methylamino]-2-fluoro-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;N-[(2-chlorophenyl)methyl]-6-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine;1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;bis(tri(propan-2-yl)silane) is sourced from PubChem (CID 157339631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).