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

C70H74BBr2F3N8O7 — CID 160505391

About 1-(4-bromophenyl)cyclobutane-1-carboxylic acid;3-(4-bromophenyl)-N-(5-fluoro-2-pyridinyl)oxetane-3-carboxamide;1-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-(5-fluoro-2-pyridinyl)cyclobutane-1-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;1-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-(5-fluoro-2-pyridinyl)cyclobutane-1-carboxamide;2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;5-fluoropyridin-2-amine;methane (PubChem CID 160505391) has the molecular formula C70H74BBr2F3N8O7 and a molecular weight of 1367.02 g/mol. Its IUPAC name is 1-(4-bromophenyl)cyclobutane-1-carboxylic acid;3-(4-bromophenyl)-N-(5-fluoro-2-pyridinyl)oxetane-3-carboxamide;1-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-(5-fluoro-2-pyridinyl)cyclobutane-1-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;1-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-(5-fluoro-2-pyridinyl)cyclobutane-1-carboxamide;2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;5-fluoropyridin-2-amine;methane
• PubChem CID: 160505391
• Molecular Formula: C70H74BBr2F3N8O7
• Molecular Weight: 1367.02 g/mol
• Exact Mass: 1364.41
• IUPAC Name: 1-(4-bromophenyl)cyclobutane-1-carboxylic acid;3-(4-bromophenyl)-N-(5-fluoro-2-pyridinyl)oxetane-3-carboxamide;1-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-(5-fluoro-2-pyridinyl)cyclobutane-1-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)CCC1.O=C(Nc1ccc(F)cn1)C1(c2ccc(Br)cc2)COC1.O=C(O)C1(c2ccc(Br)cc2)CCC1
• InChI: InChI=1S/C24H22FN3O.C15H12BrFN2O2.C14H20BNO2.C11H11BrO2.C5H5FN2.CH4/c25-20-9-11-22(27-15-20)28-23(29)24(12-1-13-24)19-7-4-16(5-8-19)18-6-10-21(26-14-18)17-2-3-17;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;/h4-11,14-15,17H,1-3,12-13H2,(H,27,28,29);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: QSIFDOJHKFMUKT-UHFFFAOYSA-N
• XLogP: 14.76
• TPSA: 213.66 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1367.02
LogP ≤ 5	14.76
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

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;1-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-(5-fluoro-2-pyridinyl)cyclobutane-1-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;1-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-(5-fluoro-2-pyridinyl)cyclobutane-1-carboxamide;2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;5-fluoropyridin-2-amine;methane (CID 160505391) is 1-(4-bromophenyl)cyclobutane-1-carboxylic acid;3-(4-bromophenyl)-N-(5-fluoro-2-pyridinyl)oxetane-3-carboxamide;1-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-(5-fluoro-2-pyridinyl)cyclobutane-1-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;1-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-(5-fluoro-2-pyridinyl)cyclobutane-1-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;1-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-(5-fluoro-2-pyridinyl)cyclobutane-1-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)CCC1.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;1-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-(5-fluoro-2-pyridinyl)cyclobutane-1-carboxamide;2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;5-fluoropyridin-2-amine;methane?

The InChIKey is QSIFDOJHKFMUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O.C15H12BrFN2O2.C14H20BNO2.C11H11BrO2.C5H5FN2.CH4/c25-20-9-11-22(27-15-20)28-23(29)24(12-1-13-24)19-7-4-16(5-8-19)18-6-10-21(26-14-18)17-2-3-17;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;/h4-11,14-15,17H,1-3,12-13H2,(H,27,28,29);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;1-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-(5-fluoro-2-pyridinyl)cyclobutane-1-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;1-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-(5-fluoro-2-pyridinyl)cyclobutane-1-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 1367.02 g/mol, XLogP of 14.76, 12 rotatable bonds, 4 hydrogen bond donors, and 12 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;1-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-(5-fluoro-2-pyridinyl)cyclobutane-1-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 160505391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).