5-bromo-N-[(4-chlorophenyl)methyl]-6-fluoropyridin-2-amine;tert-butyl 5-chloro-3-(chloromethyl)pyrrolo[2,3-b]pyridine-1-carboxylate;5-chloro-3-[[6-[2-(4-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;(4-chlorophenyl)methanamine;N-[(4-chlorophenyl)methyl]-6-fluoropyridin-2-amine;2,6-difluoropyridine

C70H60BrCl7F5N11O2 — CID 162167991

About 5-bromo-N-[(4-chlorophenyl)methyl]-6-fluoropyridin-2-amine;tert-butyl 5-chloro-3-(chloromethyl)pyrrolo[2,3-b]pyridine-1-carboxylate;5-chloro-3-[[6-[2-(4-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;(4-chlorophenyl)methanamine;N-[(4-chlorophenyl)methyl]-6-fluoropyridin-2-amine;2,6-difluoropyridine

5-bromo-N-[(4-chlorophenyl)methyl]-6-fluoropyridin-2-amine;tert-butyl 5-chloro-3-(chloromethyl)pyrrolo[2,3-b]pyridine-1-carboxylate;5-chloro-3-[[6-[2-(4-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;(4-chlorophenyl)methanamine;N-[(4-chlorophenyl)methyl]-6-fluoropyridin-2-amine;2,6-difluoropyridine (PubChem CID 162167991) has the molecular formula C70H60BrCl7F5N11O2 and a molecular weight of 1510.39 g/mol. Its IUPAC name is 5-bromo-N-[(4-chlorophenyl)methyl]-6-fluoropyridin-2-amine;tert-butyl 5-chloro-3-(chloromethyl)pyrrolo[2,3-b]pyridine-1-carboxylate;5-chloro-3-[[6-[2-(4-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;(4-chlorophenyl)methanamine;N-[(4-chlorophenyl)methyl]-6-fluoropyridin-2-amine;2,6-difluoropyridine.

Molecular Properties

• Compound Name: 5-bromo-N-[(4-chlorophenyl)methyl]-6-fluoropyridin-2-amine;tert-butyl 5-chloro-3-(chloromethyl)pyrrolo[2,3-b]pyridine-1-carboxylate;5-chloro-3-[[6-[2-(4-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;(4-chlorophenyl)methanamine;N-[(4-chlorophenyl)methyl]-6-fluoropyridin-2-amine;2,6-difluoropyridine
• PubChem CID: 162167991
• Molecular Formula: C70H60BrCl7F5N11O2
• Molecular Weight: 1510.39 g/mol
• Exact Mass: 1505.19
• IUPAC Name: 5-bromo-N-[(4-chlorophenyl)methyl]-6-fluoropyridin-2-amine;tert-butyl 5-chloro-3-(chloromethyl)pyrrolo[2,3-b]pyridine-1-carboxylate;5-chloro-3-[[6-[2-(4-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;(4-chlorophenyl)methanamine;N-[(4-chlorophenyl)methyl]-6-fluoropyridin-2-amine;2,6-difluoropyridine
• SMILES: CC(C)(C)OC(=O)n1cc(CCl)c2cc(Cl)cnc21.Fc1cccc(F)n1.Fc1cccc(NCc2ccc(Cl)cc2)n1.Fc1nc(CCc2ccc(Cl)cc2)ccc1Cc1c[nH]c2ncc(Cl)cc12.Fc1nc(NCc2ccc(Cl)cc2)ccc1Br.NCc1ccc(Cl)cc1
• InChI: InChI=1S/C21H16Cl2FN3.C13H14Cl2N2O2.C12H9BrClFN2.C12H10ClFN2.C7H8ClN.C5H3F2N/c22-16-5-1-13(2-6-16)3-7-18-8-4-14(20(24)27-18)9-15-11-25-21-19(15)10-17(23)12-26-21;1-13(2,3)19-12(18)17-7-8(5-14)10-4-9(15)6-16-11(10)17;13-10-5-6-11(17-12(10)15)16-7-8-1-3-9(14)4-2-8;13-10-6-4-9(5-7-10)8-15-12-3-1-2-11(14)16-12;8-7-3-1-6(5-9)2-4-7;6-4-2-1-3-5(7)8-4/h1-2,4-6,8,10-12H,3,7,9H2,(H,25,26);4,6-7H,5H2,1-3H3;1-6H,7H2,(H,16,17);1-7H,8H2,(H,15,16);1-4H,5,9H2;1-3H
• InChIKey: ZNJYOUMCJPDKOC-UHFFFAOYSA-N
• XLogP: 20.88
• TPSA: 174.44 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1510.39
LogP ≤ 5	20.88
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-chlorophenyl)methyl]-6-fluoropyridin-2-amine;tert-butyl 5-chloro-3-(chloromethyl)pyrrolo[2,3-b]pyridine-1-carboxylate;5-chloro-3-[[6-[2-(4-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;(4-chlorophenyl)methanamine;N-[(4-chlorophenyl)methyl]-6-fluoropyridin-2-amine;2,6-difluoropyridine?

The IUPAC name of 5-bromo-N-[(4-chlorophenyl)methyl]-6-fluoropyridin-2-amine;tert-butyl 5-chloro-3-(chloromethyl)pyrrolo[2,3-b]pyridine-1-carboxylate;5-chloro-3-[[6-[2-(4-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;(4-chlorophenyl)methanamine;N-[(4-chlorophenyl)methyl]-6-fluoropyridin-2-amine;2,6-difluoropyridine (CID 162167991) is 5-bromo-N-[(4-chlorophenyl)methyl]-6-fluoropyridin-2-amine;tert-butyl 5-chloro-3-(chloromethyl)pyrrolo[2,3-b]pyridine-1-carboxylate;5-chloro-3-[[6-[2-(4-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;(4-chlorophenyl)methanamine;N-[(4-chlorophenyl)methyl]-6-fluoropyridin-2-amine;2,6-difluoropyridine.

What is the SMILES notation for 5-bromo-N-[(4-chlorophenyl)methyl]-6-fluoropyridin-2-amine;tert-butyl 5-chloro-3-(chloromethyl)pyrrolo[2,3-b]pyridine-1-carboxylate;5-chloro-3-[[6-[2-(4-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;(4-chlorophenyl)methanamine;N-[(4-chlorophenyl)methyl]-6-fluoropyridin-2-amine;2,6-difluoropyridine?

The canonical SMILES for 5-bromo-N-[(4-chlorophenyl)methyl]-6-fluoropyridin-2-amine;tert-butyl 5-chloro-3-(chloromethyl)pyrrolo[2,3-b]pyridine-1-carboxylate;5-chloro-3-[[6-[2-(4-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;(4-chlorophenyl)methanamine;N-[(4-chlorophenyl)methyl]-6-fluoropyridin-2-amine;2,6-difluoropyridine is CC(C)(C)OC(=O)n1cc(CCl)c2cc(Cl)cnc21.Fc1cccc(F)n1.Fc1cccc(NCc2ccc(Cl)cc2)n1.Fc1nc(CCc2ccc(Cl)cc2)ccc1Cc1c[nH]c2ncc(Cl)cc12.Fc1nc(NCc2ccc(Cl)cc2)ccc1Br.NCc1ccc(Cl)cc1.

What is the InChIKey of 5-bromo-N-[(4-chlorophenyl)methyl]-6-fluoropyridin-2-amine;tert-butyl 5-chloro-3-(chloromethyl)pyrrolo[2,3-b]pyridine-1-carboxylate;5-chloro-3-[[6-[2-(4-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;(4-chlorophenyl)methanamine;N-[(4-chlorophenyl)methyl]-6-fluoropyridin-2-amine;2,6-difluoropyridine?

The InChIKey is ZNJYOUMCJPDKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2FN3.C13H14Cl2N2O2.C12H9BrClFN2.C12H10ClFN2.C7H8ClN.C5H3F2N/c22-16-5-1-13(2-6-16)3-7-18-8-4-14(20(24)27-18)9-15-11-25-21-19(15)10-17(23)12-26-21;1-13(2,3)19-12(18)17-7-8(5-14)10-4-9(15)6-16-11(10)17;13-10-5-6-11(17-12(10)15)16-7-8-1-3-9(14)4-2-8;13-10-6-4-9(5-7-10)8-15-12-3-1-2-11(14)16-12;8-7-3-1-6(5-9)2-4-7;6-4-2-1-3-5(7)8-4/h1-2,4-6,8,10-12H,3,7,9H2,(H,25,26);4,6-7H,5H2,1-3H3;1-6H,7H2,(H,16,17);1-7H,8H2,(H,15,16);1-4H,5,9H2;1-3H.

What are the key properties of 5-bromo-N-[(4-chlorophenyl)methyl]-6-fluoropyridin-2-amine;tert-butyl 5-chloro-3-(chloromethyl)pyrrolo[2,3-b]pyridine-1-carboxylate;5-chloro-3-[[6-[2-(4-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;(4-chlorophenyl)methanamine;N-[(4-chlorophenyl)methyl]-6-fluoropyridin-2-amine;2,6-difluoropyridine?

5-bromo-N-[(4-chlorophenyl)methyl]-6-fluoropyridin-2-amine;tert-butyl 5-chloro-3-(chloromethyl)pyrrolo[2,3-b]pyridine-1-carboxylate;5-chloro-3-[[6-[2-(4-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;(4-chlorophenyl)methanamine;N-[(4-chlorophenyl)methyl]-6-fluoropyridin-2-amine;2,6-difluoropyridine has a molecular weight of 1510.39 g/mol, XLogP of 20.88, 13 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-[(4-chlorophenyl)methyl]-6-fluoropyridin-2-amine;tert-butyl 5-chloro-3-(chloromethyl)pyrrolo[2,3-b]pyridine-1-carboxylate;5-chloro-3-[[6-[2-(4-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;(4-chlorophenyl)methanamine;N-[(4-chlorophenyl)methyl]-6-fluoropyridin-2-amine;2,6-difluoropyridine is sourced from PubChem (CID 162167991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).