4-bromo-2-chloropyridine;2-chloro-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine;piperidine;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane

C72H98BBrCl2N6O2 — CID 161351990

IUPAC4-bromo-2-chloropyridine;2-chloro-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine;piperidine;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane
SMILESC1CCNCC1.CC1(C)CCC(C)(C)c2cc(-c3ccnc(Cl)c3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3ccnc(N4CCNCC4)c3)ccc21.CC1(C)CCC(C)(C)c2cc(B3OC(C)(C)C(C)(C)O3)ccc21.Clc1cc(Br)ccn1
InChIInChI=1S/C23H31N3.C20H31BO2.C19H22ClN.C5H3BrClN.C5H11N/c1-22(2)8-9-23(3,4)20-15-17(5-6-19(20)22)18-7-10-25-21(16-18)26-13-11-24-12-14-26;1-17(2)11-12-18(3,4)16-13-14(9-10-15(16)17)21-22-19(5,6)20(7,8)23-21;1-18(2)8-9-19(3,4)16-11-13(5-6-15(16)18)14-7-10-21-17(20)12-14;6-4-1-2-8-5(7)3-4;1-2-4-6-5-3-1/h5-7,10,15-16,24H,8-9,11-14H2,1-4H3;9-10,13H,11-12H2,1-8H3;5-7,10-12H,8-9H2,1-4H3;1-3H;6H,1-5H2
InChIKeyVOAVCSSITVIBMV-UHFFFAOYSA-N
MW1241.24 g/mol
LogP17.85
Rot. Bonds4

About 4-bromo-2-chloropyridine;2-chloro-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine;piperidine;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane

4-bromo-2-chloropyridine;2-chloro-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine;piperidine;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane (PubChem CID 161351990) has the molecular formula C72H98BBrCl2N6O2 and a molecular weight of 1241.24 g/mol. Its IUPAC name is 4-bromo-2-chloropyridine;2-chloro-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine;piperidine;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4-bromo-2-chloropyridine;2-chloro-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine;piperidine;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane
PubChem CID161351990
Molecular FormulaC72H98BBrCl2N6O2
Molecular Weight1241.24 g/mol
Exact Mass1238.64
IUPAC Name4-bromo-2-chloropyridine;2-chloro-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine;piperidine;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane
SMILESC1CCNCC1.CC1(C)CCC(C)(C)c2cc(-c3ccnc(Cl)c3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3ccnc(N4CCNCC4)c3)ccc21.CC1(C)CCC(C)(C)c2cc(B3OC(C)(C)C(C)(C)O3)ccc21.Clc1cc(Br)ccn1
InChIInChI=1S/C23H31N3.C20H31BO2.C19H22ClN.C5H3BrClN.C5H11N/c1-22(2)8-9-23(3,4)20-15-17(5-6-19(20)22)18-7-10-25-21(16-18)26-13-11-24-12-14-26;1-17(2)11-12-18(3,4)16-13-14(9-10-15(16)17)21-22-19(5,6)20(7,8)23-21;1-18(2)8-9-19(3,4)16-11-13(5-6-15(16)18)14-7-10-21-17(20)12-14;6-4-1-2-8-5(7)3-4;1-2-4-6-5-3-1/h5-7,10,15-16,24H,8-9,11-14H2,1-4H3;9-10,13H,11-12H2,1-8H3;5-7,10-12H,8-9H2,1-4H3;1-3H;6H,1-5H2
InChIKeyVOAVCSSITVIBMV-UHFFFAOYSA-N
XLogP17.85
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001241.24
LogP ≤ 517.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-bromo-2-chloropyridine;2-chloro-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine;piperidine;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane with MolForge

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Related Compounds

1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine
CID 53250560
1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-one;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-one;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane
CID 159062829
1-[4-(4-chlorophenyl)-2-pyridinyl]piperazine
CID 171059987
1-[4-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine
CID 151601197
2-piperazin-1-yl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole
CID 53312286
6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalene;2-(8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 159131000
1-[1-(4-chloro-1,3,5-triazin-2-yl)piperidin-4-yl]piperidin-3-ol;1-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]piperidin-3-ol;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane
CID 159446067
1-[4-(1H-pyrazol-5-yl)-2-pyridinyl]piperazine
CID 105486911
8-chloro-3-methyl-5,11-dihydrobenzo[c][1]benzazepin-6-one;3-methyl-8-(2-morpholin-4-yl-4-pyridinyl)-5,11-dihydrobenzo[c][1]benzazepin-6-one;4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine
CID 159844073
8-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane
CID 67608672
4,4,5,5-tetramethyl-2-(1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl)-1,3,2-dioxaborolane
CID 178037002
diphenyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane
CID 177083301

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloropyridine;2-chloro-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine;piperidine;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of 4-bromo-2-chloropyridine;2-chloro-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine;piperidine;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane (CID 161351990) is 4-bromo-2-chloropyridine;2-chloro-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine;piperidine;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 4-bromo-2-chloropyridine;2-chloro-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine;piperidine;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 4-bromo-2-chloropyridine;2-chloro-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine;piperidine;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane is C1CCNCC1.CC1(C)CCC(C)(C)c2cc(-c3ccnc(Cl)c3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3ccnc(N4CCNCC4)c3)ccc21.CC1(C)CCC(C)(C)c2cc(B3OC(C)(C)C(C)(C)O3)ccc21.Clc1cc(Br)ccn1.
What is the InChIKey of 4-bromo-2-chloropyridine;2-chloro-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine;piperidine;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane?
The InChIKey is VOAVCSSITVIBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3.C20H31BO2.C19H22ClN.C5H3BrClN.C5H11N/c1-22(2)8-9-23(3,4)20-15-17(5-6-19(20)22)18-7-10-25-21(16-18)26-13-11-24-12-14-26;1-17(2)11-12-18(3,4)16-13-14(9-10-15(16)17)21-22-19(5,6)20(7,8)23-21;1-18(2)8-9-19(3,4)16-11-13(5-6-15(16)18)14-7-10-21-17(20)12-14;6-4-1-2-8-5(7)3-4;1-2-4-6-5-3-1/h5-7,10,15-16,24H,8-9,11-14H2,1-4H3;9-10,13H,11-12H2,1-8H3;5-7,10-12H,8-9H2,1-4H3;1-3H;6H,1-5H2.
What are the key properties of 4-bromo-2-chloropyridine;2-chloro-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine;piperidine;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane?
4-bromo-2-chloropyridine;2-chloro-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine;piperidine;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane has a molecular weight of 1241.24 g/mol, XLogP of 17.85, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloropyridine;2-chloro-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine;piperidine;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazine;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 161351990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).