1-(4-bromophenyl)cyclobutane-1-carboxylic acid;1-(4-bromophenyl)-N-(5-fluoro-2-pyridinyl)cyclobutane-1-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

C70H72BBr2F3N8O6 — CID 158223716

IUPAC1-(4-bromophenyl)cyclobutane-1-carboxylic acid;1-(4-bromophenyl)-N-(5-fluoro-2-pyridinyl)cyclobutane-1-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
SMILESCC1(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)CCC1.O=C(O)C1(c2ccc(Br)cc2)CCC1
InChIInChI=1S/C24H22FN3O.C16H14BrFN2O.C14H20BNO2.C11H11BrO2.C5H5FN2/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;17-12-4-2-11(3-5-12)16(8-1-9-16)15(21)20-14-7-6-13(18)10-19-14;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);2-7,10H,1,8-9H2,(H,19,20,21);7-10H,5-6H2,1-4H3;2-5H,1,6-7H2,(H,13,14);1-3H,(H2,7,8)
InChIKeyGDNYXCIASZWGFT-UHFFFAOYSA-N
MW1349.01 g/mol
LogP15.28
Rot. Bonds12

About 1-(4-bromophenyl)cyclobutane-1-carboxylic acid;1-(4-bromophenyl)-N-(5-fluoro-2-pyridinyl)cyclobutane-1-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

1-(4-bromophenyl)cyclobutane-1-carboxylic acid;1-(4-bromophenyl)-N-(5-fluoro-2-pyridinyl)cyclobutane-1-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 (PubChem CID 158223716) has the molecular formula C70H72BBr2F3N8O6 and a molecular weight of 1349.01 g/mol. Its IUPAC name is 1-(4-bromophenyl)cyclobutane-1-carboxylic acid;1-(4-bromophenyl)-N-(5-fluoro-2-pyridinyl)cyclobutane-1-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.

Molecular Properties

Compound Name1-(4-bromophenyl)cyclobutane-1-carboxylic acid;1-(4-bromophenyl)-N-(5-fluoro-2-pyridinyl)cyclobutane-1-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
PubChem CID158223716
Molecular FormulaC70H72BBr2F3N8O6
Molecular Weight1349.01 g/mol
Exact Mass1346.40
IUPAC Name1-(4-bromophenyl)cyclobutane-1-carboxylic acid;1-(4-bromophenyl)-N-(5-fluoro-2-pyridinyl)cyclobutane-1-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
SMILESCC1(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)CCC1.O=C(O)C1(c2ccc(Br)cc2)CCC1
InChIInChI=1S/C24H22FN3O.C16H14BrFN2O.C14H20BNO2.C11H11BrO2.C5H5FN2/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;17-12-4-2-11(3-5-12)16(8-1-9-16)15(21)20-14-7-6-13(18)10-19-14;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);2-7,10H,1,8-9H2,(H,19,20,21);7-10H,5-6H2,1-4H3;2-5H,1,6-7H2,(H,13,14);1-3H,(H2,7,8)
InChIKeyGDNYXCIASZWGFT-UHFFFAOYSA-N
XLogP15.28
TPSA204.43 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001349.01
LogP ≤ 515.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 1-(4-bromophenyl)cyclobutane-1-carboxylic acid;1-(4-bromophenyl)-N-(5-fluoro-2-pyridinyl)cyclobutane-1-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 with MolForge

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Related Compounds

5-bromospiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-2-one;2-[2-fluoro-4-(6-oxospiro[7H-cyclopenta[b]pyridine-5,1'-cyclopropane]-3-yl)phenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide;5-(trifluoromethyl)pyridin-3-amine
CID 158580535
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
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

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)cyclobutane-1-carboxylic acid;1-(4-bromophenyl)-N-(5-fluoro-2-pyridinyl)cyclobutane-1-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?
The IUPAC name of 1-(4-bromophenyl)cyclobutane-1-carboxylic acid;1-(4-bromophenyl)-N-(5-fluoro-2-pyridinyl)cyclobutane-1-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 (CID 158223716) is 1-(4-bromophenyl)cyclobutane-1-carboxylic acid;1-(4-bromophenyl)-N-(5-fluoro-2-pyridinyl)cyclobutane-1-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.
What is the SMILES notation for 1-(4-bromophenyl)cyclobutane-1-carboxylic acid;1-(4-bromophenyl)-N-(5-fluoro-2-pyridinyl)cyclobutane-1-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?
The canonical SMILES for 1-(4-bromophenyl)cyclobutane-1-carboxylic acid;1-(4-bromophenyl)-N-(5-fluoro-2-pyridinyl)cyclobutane-1-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 is 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)CCC1.O=C(O)C1(c2ccc(Br)cc2)CCC1.
What is the InChIKey of 1-(4-bromophenyl)cyclobutane-1-carboxylic acid;1-(4-bromophenyl)-N-(5-fluoro-2-pyridinyl)cyclobutane-1-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?
The InChIKey is GDNYXCIASZWGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O.C16H14BrFN2O.C14H20BNO2.C11H11BrO2.C5H5FN2/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;17-12-4-2-11(3-5-12)16(8-1-9-16)15(21)20-14-7-6-13(18)10-19-14;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);2-7,10H,1,8-9H2,(H,19,20,21);7-10H,5-6H2,1-4H3;2-5H,1,6-7H2,(H,13,14);1-3H,(H2,7,8).
What are the key properties of 1-(4-bromophenyl)cyclobutane-1-carboxylic acid;1-(4-bromophenyl)-N-(5-fluoro-2-pyridinyl)cyclobutane-1-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?
1-(4-bromophenyl)cyclobutane-1-carboxylic acid;1-(4-bromophenyl)-N-(5-fluoro-2-pyridinyl)cyclobutane-1-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 has a molecular weight of 1349.01 g/mol, XLogP of 15.28, 12 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)cyclobutane-1-carboxylic acid;1-(4-bromophenyl)-N-(5-fluoro-2-pyridinyl)cyclobutane-1-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 is sourced from PubChem (CID 158223716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).