5-(2-bicyclo[2.2.1]heptanyl)-3-bromo-2-fluoropyridine;bis(4-[5-(2-bicyclo[2.2.1]heptanyl)-2-fluoro-3-pyridinyl]pyridin-2-amine);4-bromopyridin-2-amine;dicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane;methane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C107H148B3Br2F3N11O6P — CID 159810586

IUPAC5-(2-bicyclo[2.2.1]heptanyl)-3-bromo-2-fluoropyridine;bis(4-[5-(2-bicyclo[2.2.1]heptanyl)-2-fluoro-3-pyridinyl]pyridin-2-amine);4-bromopyridin-2-amine;dicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane;methane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESC.C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccnc(N)c2)OC1(C)C.Cc1cc(C(C)C)cc(C(C)C)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1.Fc1ncc(C2CC3CCC2C3)cc1Br.Nc1cc(-c2cc(C3CC4CCC3C4)cnc2F)ccn1.Nc1cc(-c2cc(C3CC4CCC3C4)cnc2F)ccn1.Nc1cc(Br)ccn1
InChIInChI=1S/C31H45P.2C17H18FN3.C12H24B2O4.C12H13BrFN.C11H17BN2O2.C5H5BrN2.2CH4/c1-22(2)25-20-24(5)31(29(21-25)23(3)4)28-18-12-13-19-30(28)32(26-14-8-6-9-15-26)27-16-10-7-11-17-27;2*18-17-15(12-3-4-20-16(19)8-12)7-13(9-21-17)14-6-10-1-2-11(14)5-10;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-11-5-9(6-15-12(11)14)10-4-7-1-2-8(10)3-7;1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8;6-4-1-2-8-5(7)3-4;;/h12-13,18-23,26-27H,6-11,14-17H2,1-5H3;2*3-4,7-11,14H,1-2,5-6H2,(H2,19,20);1-8H3;5-8,10H,1-4H2;5-7H,1-4H3,(H2,13,14);1-3H,(H2,7,8);2*1H4
InChIKeyNKYWTEXXPFDGSC-UHFFFAOYSA-N
MW1964.64 g/mol
LogP27.02
Rot. Bonds13

About 5-(2-bicyclo[2.2.1]heptanyl)-3-bromo-2-fluoropyridine;bis(4-[5-(2-bicyclo[2.2.1]heptanyl)-2-fluoro-3-pyridinyl]pyridin-2-amine);4-bromopyridin-2-amine;dicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane;methane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

5-(2-bicyclo[2.2.1]heptanyl)-3-bromo-2-fluoropyridine;bis(4-[5-(2-bicyclo[2.2.1]heptanyl)-2-fluoro-3-pyridinyl]pyridin-2-amine);4-bromopyridin-2-amine;dicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane;methane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 159810586) has the molecular formula C107H148B3Br2F3N11O6P and a molecular weight of 1964.64 g/mol. Its IUPAC name is 5-(2-bicyclo[2.2.1]heptanyl)-3-bromo-2-fluoropyridine;bis(4-[5-(2-bicyclo[2.2.1]heptanyl)-2-fluoro-3-pyridinyl]pyridin-2-amine);4-bromopyridin-2-amine;dicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane;methane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name5-(2-bicyclo[2.2.1]heptanyl)-3-bromo-2-fluoropyridine;bis(4-[5-(2-bicyclo[2.2.1]heptanyl)-2-fluoro-3-pyridinyl]pyridin-2-amine);4-bromopyridin-2-amine;dicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane;methane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
PubChem CID159810586
Molecular FormulaC107H148B3Br2F3N11O6P
Molecular Weight1964.64 g/mol
Exact Mass1961.99
IUPAC Name5-(2-bicyclo[2.2.1]heptanyl)-3-bromo-2-fluoropyridine;bis(4-[5-(2-bicyclo[2.2.1]heptanyl)-2-fluoro-3-pyridinyl]pyridin-2-amine);4-bromopyridin-2-amine;dicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane;methane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESC.C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccnc(N)c2)OC1(C)C.Cc1cc(C(C)C)cc(C(C)C)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1.Fc1ncc(C2CC3CCC2C3)cc1Br.Nc1cc(-c2cc(C3CC4CCC3C4)cnc2F)ccn1.Nc1cc(-c2cc(C3CC4CCC3C4)cnc2F)ccn1.Nc1cc(Br)ccn1
InChIInChI=1S/C31H45P.2C17H18FN3.C12H24B2O4.C12H13BrFN.C11H17BN2O2.C5H5BrN2.2CH4/c1-22(2)25-20-24(5)31(29(21-25)23(3)4)28-18-12-13-19-30(28)32(26-14-8-6-9-15-26)27-16-10-7-11-17-27;2*18-17-15(12-3-4-20-16(19)8-12)7-13(9-21-17)14-6-10-1-2-11(14)5-10;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-11-5-9(6-15-12(11)14)10-4-7-1-2-8(10)3-7;1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8;6-4-1-2-8-5(7)3-4;;/h12-13,18-23,26-27H,6-11,14-17H2,1-5H3;2*3-4,7-11,14H,1-2,5-6H2,(H2,19,20);1-8H3;5-8,10H,1-4H2;5-7H,1-4H3,(H2,13,14);1-3H,(H2,7,8);2*1H4
InChIKeyNKYWTEXXPFDGSC-UHFFFAOYSA-N
XLogP27.02
TPSA249.69 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds13
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001964.64
LogP ≤ 527.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 5-(2-bicyclo[2.2.1]heptanyl)-3-bromo-2-fluoropyridine;bis(4-[5-(2-bicyclo[2.2.1]heptanyl)-2-fluoro-3-pyridinyl]pyridin-2-amine);4-bromopyridin-2-amine;dicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane;methane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane with MolForge

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Related Compounds

8-[3,6-Bis(4-pyrimidin-2-ylphenyl)fluoren-9-ylidene]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-ylidene]-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-(4-bromophenyl)pyrimidine
CID 159979489
Bis(4-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-3-pyridinyl]pyridin-2-amine);2-(5-bromo-6-fluoro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane;4-bromopyridin-2-amine;dicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 160672899

Frequently Asked Questions

What is the IUPAC name of 5-(2-bicyclo[2.2.1]heptanyl)-3-bromo-2-fluoropyridine;bis(4-[5-(2-bicyclo[2.2.1]heptanyl)-2-fluoro-3-pyridinyl]pyridin-2-amine);4-bromopyridin-2-amine;dicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane;methane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of 5-(2-bicyclo[2.2.1]heptanyl)-3-bromo-2-fluoropyridine;bis(4-[5-(2-bicyclo[2.2.1]heptanyl)-2-fluoro-3-pyridinyl]pyridin-2-amine);4-bromopyridin-2-amine;dicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane;methane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 159810586) is 5-(2-bicyclo[2.2.1]heptanyl)-3-bromo-2-fluoropyridine;bis(4-[5-(2-bicyclo[2.2.1]heptanyl)-2-fluoro-3-pyridinyl]pyridin-2-amine);4-bromopyridin-2-amine;dicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane;methane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 5-(2-bicyclo[2.2.1]heptanyl)-3-bromo-2-fluoropyridine;bis(4-[5-(2-bicyclo[2.2.1]heptanyl)-2-fluoro-3-pyridinyl]pyridin-2-amine);4-bromopyridin-2-amine;dicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane;methane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 5-(2-bicyclo[2.2.1]heptanyl)-3-bromo-2-fluoropyridine;bis(4-[5-(2-bicyclo[2.2.1]heptanyl)-2-fluoro-3-pyridinyl]pyridin-2-amine);4-bromopyridin-2-amine;dicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane;methane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is C.C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccnc(N)c2)OC1(C)C.Cc1cc(C(C)C)cc(C(C)C)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1.Fc1ncc(C2CC3CCC2C3)cc1Br.Nc1cc(-c2cc(C3CC4CCC3C4)cnc2F)ccn1.Nc1cc(-c2cc(C3CC4CCC3C4)cnc2F)ccn1.Nc1cc(Br)ccn1.
What is the InChIKey of 5-(2-bicyclo[2.2.1]heptanyl)-3-bromo-2-fluoropyridine;bis(4-[5-(2-bicyclo[2.2.1]heptanyl)-2-fluoro-3-pyridinyl]pyridin-2-amine);4-bromopyridin-2-amine;dicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane;methane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The InChIKey is NKYWTEXXPFDGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H45P.2C17H18FN3.C12H24B2O4.C12H13BrFN.C11H17BN2O2.C5H5BrN2.2CH4/c1-22(2)25-20-24(5)31(29(21-25)23(3)4)28-18-12-13-19-30(28)32(26-14-8-6-9-15-26)27-16-10-7-11-17-27;2*18-17-15(12-3-4-20-16(19)8-12)7-13(9-21-17)14-6-10-1-2-11(14)5-10;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-11-5-9(6-15-12(11)14)10-4-7-1-2-8(10)3-7;1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8;6-4-1-2-8-5(7)3-4;;/h12-13,18-23,26-27H,6-11,14-17H2,1-5H3;2*3-4,7-11,14H,1-2,5-6H2,(H2,19,20);1-8H3;5-8,10H,1-4H2;5-7H,1-4H3,(H2,13,14);1-3H,(H2,7,8);2*1H4.
What are the key properties of 5-(2-bicyclo[2.2.1]heptanyl)-3-bromo-2-fluoropyridine;bis(4-[5-(2-bicyclo[2.2.1]heptanyl)-2-fluoro-3-pyridinyl]pyridin-2-amine);4-bromopyridin-2-amine;dicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane;methane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
5-(2-bicyclo[2.2.1]heptanyl)-3-bromo-2-fluoropyridine;bis(4-[5-(2-bicyclo[2.2.1]heptanyl)-2-fluoro-3-pyridinyl]pyridin-2-amine);4-bromopyridin-2-amine;dicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane;methane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 1964.64 g/mol, XLogP of 27.02, 13 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bicyclo[2.2.1]heptanyl)-3-bromo-2-fluoropyridine;bis(4-[5-(2-bicyclo[2.2.1]heptanyl)-2-fluoro-3-pyridinyl]pyridin-2-amine);4-bromopyridin-2-amine;dicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane;methane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 159810586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).