1-(4-bromophenyl)cyclobutane-1-carboxylic acid;3-(4-bromophenyl)-N-(5-fluoro-2-pyridinyl)oxetane-3-carboxamide;3-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-(5-fluoro-2-pyridinyl)oxetane-3-carboxamide;2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;5-fluoropyridin-2-amine;methane

C69H72BBr2F3N8O8 — CID 161233671

About 1-(4-bromophenyl)cyclobutane-1-carboxylic acid;3-(4-bromophenyl)-N-(5-fluoro-2-pyridinyl)oxetane-3-carboxamide;3-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-(5-fluoro-2-pyridinyl)oxetane-3-carboxamide;2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;5-fluoropyridin-2-amine;methane

1-(4-bromophenyl)cyclobutane-1-carboxylic acid;3-(4-bromophenyl)-N-(5-fluoro-2-pyridinyl)oxetane-3-carboxamide;3-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-(5-fluoro-2-pyridinyl)oxetane-3-carboxamide;2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;5-fluoropyridin-2-amine;methane (PubChem CID 161233671) has the molecular formula C69H72BBr2F3N8O8 and a molecular weight of 1369.00 g/mol. Its IUPAC name is 1-(4-bromophenyl)cyclobutane-1-carboxylic acid;3-(4-bromophenyl)-N-(5-fluoro-2-pyridinyl)oxetane-3-carboxamide;3-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-(5-fluoro-2-pyridinyl)oxetane-3-carboxamide;2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;5-fluoropyridin-2-amine;methane.

Molecular Properties

• Compound Name: 1-(4-bromophenyl)cyclobutane-1-carboxylic acid;3-(4-bromophenyl)-N-(5-fluoro-2-pyridinyl)oxetane-3-carboxamide;3-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-(5-fluoro-2-pyridinyl)oxetane-3-carboxamide;2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;5-fluoropyridin-2-amine;methane
• PubChem CID: 161233671
• Molecular Formula: C69H72BBr2F3N8O8
• Molecular Weight: 1369.00 g/mol
• Exact Mass: 1366.39
• IUPAC Name: 1-(4-bromophenyl)cyclobutane-1-carboxylic acid;3-(4-bromophenyl)-N-(5-fluoro-2-pyridinyl)oxetane-3-carboxamide;3-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-(5-fluoro-2-pyridinyl)oxetane-3-carboxamide;2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;5-fluoropyridin-2-amine;methane
• SMILES: C.CC1(C)OB(c2ccc(C3CC3)nc2)OC1(C)C.Nc1ccc(F)cn1.O=C(Nc1ccc(F)cn1)C1(c2ccc(-c3ccc(C4CC4)nc3)cc2)COC1.O=C(Nc1ccc(F)cn1)C1(c2ccc(Br)cc2)COC1.O=C(O)C1(c2ccc(Br)cc2)CCC1
• InChI: InChI=1S/C23H20FN3O2.C15H12BrFN2O2.C14H20BNO2.C11H11BrO2.C5H5FN2.CH4/c24-19-8-10-21(26-12-19)27-22(28)23(13-29-14-23)18-6-3-15(4-7-18)17-5-9-20(25-11-17)16-1-2-16;16-11-3-1-10(2-4-11)15(8-21-9-15)14(20)19-13-6-5-12(17)7-18-13;1-13(2)14(3,4)18-15(17-13)11-7-8-12(16-9-11)10-5-6-10;12-9-4-2-8(3-5-9)11(10(13)14)6-1-7-11;6-4-1-2-5(7)8-3-4;/h3-12,16H,1-2,13-14H2,(H,26,27,28);1-7H,8-9H2,(H,18,19,20);7-10H,5-6H2,1-4H3;2-5H,1,6-7H2,(H,13,14);1-3H,(H2,7,8);1H4
• InChIKey: UZBXQNJJUASCSI-UHFFFAOYSA-N
• XLogP: 13.61
• TPSA: 222.89 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1369.00
LogP ≤ 5	13.61
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)cyclobutane-1-carboxylic acid;3-(4-bromophenyl)-N-(5-fluoro-2-pyridinyl)oxetane-3-carboxamide;3-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-(5-fluoro-2-pyridinyl)oxetane-3-carboxamide;2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;5-fluoropyridin-2-amine;methane?

The IUPAC name of 1-(4-bromophenyl)cyclobutane-1-carboxylic acid;3-(4-bromophenyl)-N-(5-fluoro-2-pyridinyl)oxetane-3-carboxamide;3-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-(5-fluoro-2-pyridinyl)oxetane-3-carboxamide;2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;5-fluoropyridin-2-amine;methane (CID 161233671) is 1-(4-bromophenyl)cyclobutane-1-carboxylic acid;3-(4-bromophenyl)-N-(5-fluoro-2-pyridinyl)oxetane-3-carboxamide;3-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-(5-fluoro-2-pyridinyl)oxetane-3-carboxamide;2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;5-fluoropyridin-2-amine;methane.

What is the SMILES notation for 1-(4-bromophenyl)cyclobutane-1-carboxylic acid;3-(4-bromophenyl)-N-(5-fluoro-2-pyridinyl)oxetane-3-carboxamide;3-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-(5-fluoro-2-pyridinyl)oxetane-3-carboxamide;2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;5-fluoropyridin-2-amine;methane?

The canonical SMILES for 1-(4-bromophenyl)cyclobutane-1-carboxylic acid;3-(4-bromophenyl)-N-(5-fluoro-2-pyridinyl)oxetane-3-carboxamide;3-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-(5-fluoro-2-pyridinyl)oxetane-3-carboxamide;2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;5-fluoropyridin-2-amine;methane is C.CC1(C)OB(c2ccc(C3CC3)nc2)OC1(C)C.Nc1ccc(F)cn1.O=C(Nc1ccc(F)cn1)C1(c2ccc(-c3ccc(C4CC4)nc3)cc2)COC1.O=C(Nc1ccc(F)cn1)C1(c2ccc(Br)cc2)COC1.O=C(O)C1(c2ccc(Br)cc2)CCC1.

What is the InChIKey of 1-(4-bromophenyl)cyclobutane-1-carboxylic acid;3-(4-bromophenyl)-N-(5-fluoro-2-pyridinyl)oxetane-3-carboxamide;3-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-(5-fluoro-2-pyridinyl)oxetane-3-carboxamide;2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;5-fluoropyridin-2-amine;methane?

The InChIKey is UZBXQNJJUASCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O2.C15H12BrFN2O2.C14H20BNO2.C11H11BrO2.C5H5FN2.CH4/c24-19-8-10-21(26-12-19)27-22(28)23(13-29-14-23)18-6-3-15(4-7-18)17-5-9-20(25-11-17)16-1-2-16;16-11-3-1-10(2-4-11)15(8-21-9-15)14(20)19-13-6-5-12(17)7-18-13;1-13(2)14(3,4)18-15(17-13)11-7-8-12(16-9-11)10-5-6-10;12-9-4-2-8(3-5-9)11(10(13)14)6-1-7-11;6-4-1-2-5(7)8-3-4;/h3-12,16H,1-2,13-14H2,(H,26,27,28);1-7H,8-9H2,(H,18,19,20);7-10H,5-6H2,1-4H3;2-5H,1,6-7H2,(H,13,14);1-3H,(H2,7,8);1H4.

What are the key properties of 1-(4-bromophenyl)cyclobutane-1-carboxylic acid;3-(4-bromophenyl)-N-(5-fluoro-2-pyridinyl)oxetane-3-carboxamide;3-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-(5-fluoro-2-pyridinyl)oxetane-3-carboxamide;2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;5-fluoropyridin-2-amine;methane?

1-(4-bromophenyl)cyclobutane-1-carboxylic acid;3-(4-bromophenyl)-N-(5-fluoro-2-pyridinyl)oxetane-3-carboxamide;3-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-(5-fluoro-2-pyridinyl)oxetane-3-carboxamide;2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;5-fluoropyridin-2-amine;methane has a molecular weight of 1369.00 g/mol, XLogP of 13.61, 12 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-bromophenyl)cyclobutane-1-carboxylic acid;3-(4-bromophenyl)-N-(5-fluoro-2-pyridinyl)oxetane-3-carboxamide;3-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-(5-fluoro-2-pyridinyl)oxetane-3-carboxamide;2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;5-fluoropyridin-2-amine;methane is sourced from PubChem (CID 161233671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).