6-bromo-N-[3-(oxan-2-yloxy)propyl]pyridin-2-amine;tert-butyl 2-[(6-bromo-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)pyrrolidine-1-carboxylate;2,6-dibromopyridine;3,4-dihydro-2H-pyran

C48H70Br4N6O9 — CID 157460316

IUPAC6-bromo-N-[3-(oxan-2-yloxy)propyl]pyridin-2-amine;tert-butyl 2-[(6-bromo-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)pyrrolidine-1-carboxylate;2,6-dibromopyridine;3,4-dihydro-2H-pyran
SMILESBrc1cccc(Br)n1.Brc1cccc(NCCCOC2CCCCO2)n1.C1=COCCC1.CC(C)(C)OC(=O)N1CCCC1COc1cccc(Br)n1.CC(C)(C)OC(=O)N1CCC[C@@H]1CO
InChIInChI=1S/C15H21BrN2O3.C13H19BrN2O2.C10H19NO3.C5H3Br2N.C5H8O/c1-15(2,3)21-14(19)18-9-5-6-11(18)10-20-13-8-4-7-12(16)17-13;14-11-5-3-6-12(16-11)15-8-4-10-18-13-7-1-2-9-17-13;1-10(2,3)14-9(13)11-6-4-5-8(11)7-12;6-4-2-1-3-5(7)8-4;1-2-4-6-5-3-1/h4,7-8,11H,5-6,9-10H2,1-3H3;3,5-6,13H,1-2,4,7-10H2,(H,15,16);8,12H,4-7H2,1-3H3;1-3H;2,4H,1,3,5H2/t;;8-;;/m..1../s1
InChIKeyBTVOQCHQXVNKET-INFWJNGFSA-N
MW1194.74 g/mol
LogP12.11
Rot. Bonds10

About 6-bromo-N-[3-(oxan-2-yloxy)propyl]pyridin-2-amine;tert-butyl 2-[(6-bromo-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)pyrrolidine-1-carboxylate;2,6-dibromopyridine;3,4-dihydro-2H-pyran

6-bromo-N-[3-(oxan-2-yloxy)propyl]pyridin-2-amine;tert-butyl 2-[(6-bromo-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)pyrrolidine-1-carboxylate;2,6-dibromopyridine;3,4-dihydro-2H-pyran (PubChem CID 157460316) has the molecular formula C48H70Br4N6O9 and a molecular weight of 1194.74 g/mol. Its IUPAC name is 6-bromo-N-[3-(oxan-2-yloxy)propyl]pyridin-2-amine;tert-butyl 2-[(6-bromo-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)pyrrolidine-1-carboxylate;2,6-dibromopyridine;3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-bromo-N-[3-(oxan-2-yloxy)propyl]pyridin-2-amine;tert-butyl 2-[(6-bromo-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)pyrrolidine-1-carboxylate;2,6-dibromopyridine;3,4-dihydro-2H-pyran
PubChem CID157460316
Molecular FormulaC48H70Br4N6O9
Molecular Weight1194.74 g/mol
Exact Mass1190.19
IUPAC Name6-bromo-N-[3-(oxan-2-yloxy)propyl]pyridin-2-amine;tert-butyl 2-[(6-bromo-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)pyrrolidine-1-carboxylate;2,6-dibromopyridine;3,4-dihydro-2H-pyran
SMILESBrc1cccc(Br)n1.Brc1cccc(NCCCOC2CCCCO2)n1.C1=COCCC1.CC(C)(C)OC(=O)N1CCCC1COc1cccc(Br)n1.CC(C)(C)OC(=O)N1CCC[C@@H]1CO
InChIInChI=1S/C15H21BrN2O3.C13H19BrN2O2.C10H19NO3.C5H3Br2N.C5H8O/c1-15(2,3)21-14(19)18-9-5-6-11(18)10-20-13-8-4-7-12(16)17-13;14-11-5-3-6-12(16-11)15-8-4-10-18-13-7-1-2-9-17-13;1-10(2,3)14-9(13)11-6-4-5-8(11)7-12;6-4-2-1-3-5(7)8-4;1-2-4-6-5-3-1/h4,7-8,11H,5-6,9-10H2,1-3H3;3,5-6,13H,1-2,4,7-10H2,(H,15,16);8,12H,4-7H2,1-3H3;1-3H;2,4H,1,3,5H2/t;;8-;;/m..1../s1
InChIKeyBTVOQCHQXVNKET-INFWJNGFSA-N
XLogP12.11
TPSA166.93 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001194.74
LogP ≤ 512.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 6-bromo-N-[3-(oxan-2-yloxy)propyl]pyridin-2-amine;tert-butyl 2-[(6-bromo-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)pyrrolidine-1-carboxylate;2,6-dibromopyridine;3,4-dihydro-2H-pyran with MolForge

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Related Compounds

tert-butyl (2R)-2-[(6-bromo-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 86329405
6-bromo-N-[3-(oxan-2-yloxy)propyl]pyridin-2-amine
CID 18771920
tert-butyl (2S)-2-[(5-bromo-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 97172833
tert-butyl 2-[(5-bromo-2-pyridinyl)oxymethyl]piperidine-1-carboxylate
CID 71631757
tert-butyl 2-[(2-chloropyrimidin-4-yl)oxymethyl]piperidine-1-carboxylate
CID 71631756
tert-butyl (2S)-2-[[(R)-(6-bromo-2-pyridinyl)sulfinyl]methyl]pyrrolidine-1-carboxylate
CID 97173034
tert-butyl 2-(quinoxalin-2-yloxymethyl)pyrrolidine-1-carboxylate
CID 71631412
tert-butyl (2S)-2-[(6-chloropyridazin-3-yl)oxymethyl]piperidine-1-carboxylate
CID 95731974
tert-butyl (2R)-2-[(4-chloropyrimidin-2-yl)oxymethyl]piperidine-1-carboxylate
CID 97173569
tert-butyl (2S)-2-[(4-chloropyrimidin-2-yl)oxymethyl]piperidine-1-carboxylate
CID 97173570
tert-butyl (2R)-2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]piperidine-1-carboxylate
CID 86329095
tert-butyl (2R)-2-(1,3-benzoxazol-2-yloxymethyl)piperidine-1-carboxylate
CID 97173629

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[3-(oxan-2-yloxy)propyl]pyridin-2-amine;tert-butyl 2-[(6-bromo-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)pyrrolidine-1-carboxylate;2,6-dibromopyridine;3,4-dihydro-2H-pyran?
The IUPAC name of 6-bromo-N-[3-(oxan-2-yloxy)propyl]pyridin-2-amine;tert-butyl 2-[(6-bromo-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)pyrrolidine-1-carboxylate;2,6-dibromopyridine;3,4-dihydro-2H-pyran (CID 157460316) is 6-bromo-N-[3-(oxan-2-yloxy)propyl]pyridin-2-amine;tert-butyl 2-[(6-bromo-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)pyrrolidine-1-carboxylate;2,6-dibromopyridine;3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-bromo-N-[3-(oxan-2-yloxy)propyl]pyridin-2-amine;tert-butyl 2-[(6-bromo-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)pyrrolidine-1-carboxylate;2,6-dibromopyridine;3,4-dihydro-2H-pyran?
The canonical SMILES for 6-bromo-N-[3-(oxan-2-yloxy)propyl]pyridin-2-amine;tert-butyl 2-[(6-bromo-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)pyrrolidine-1-carboxylate;2,6-dibromopyridine;3,4-dihydro-2H-pyran is Brc1cccc(Br)n1.Brc1cccc(NCCCOC2CCCCO2)n1.C1=COCCC1.CC(C)(C)OC(=O)N1CCCC1COc1cccc(Br)n1.CC(C)(C)OC(=O)N1CCC[C@@H]1CO.
What is the InChIKey of 6-bromo-N-[3-(oxan-2-yloxy)propyl]pyridin-2-amine;tert-butyl 2-[(6-bromo-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)pyrrolidine-1-carboxylate;2,6-dibromopyridine;3,4-dihydro-2H-pyran?
The InChIKey is BTVOQCHQXVNKET-INFWJNGFSA-N. The full InChI is InChI=1S/C15H21BrN2O3.C13H19BrN2O2.C10H19NO3.C5H3Br2N.C5H8O/c1-15(2,3)21-14(19)18-9-5-6-11(18)10-20-13-8-4-7-12(16)17-13;14-11-5-3-6-12(16-11)15-8-4-10-18-13-7-1-2-9-17-13;1-10(2,3)14-9(13)11-6-4-5-8(11)7-12;6-4-2-1-3-5(7)8-4;1-2-4-6-5-3-1/h4,7-8,11H,5-6,9-10H2,1-3H3;3,5-6,13H,1-2,4,7-10H2,(H,15,16);8,12H,4-7H2,1-3H3;1-3H;2,4H,1,3,5H2/t;;8-;;/m..1../s1.
What are the key properties of 6-bromo-N-[3-(oxan-2-yloxy)propyl]pyridin-2-amine;tert-butyl 2-[(6-bromo-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)pyrrolidine-1-carboxylate;2,6-dibromopyridine;3,4-dihydro-2H-pyran?
6-bromo-N-[3-(oxan-2-yloxy)propyl]pyridin-2-amine;tert-butyl 2-[(6-bromo-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)pyrrolidine-1-carboxylate;2,6-dibromopyridine;3,4-dihydro-2H-pyran has a molecular weight of 1194.74 g/mol, XLogP of 12.11, 10 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[3-(oxan-2-yloxy)propyl]pyridin-2-amine;tert-butyl 2-[(6-bromo-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)pyrrolidine-1-carboxylate;2,6-dibromopyridine;3,4-dihydro-2H-pyran is sourced from PubChem (CID 157460316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).