5-bromo-6-fluoropyridin-2-amine;N-(5-bromo-6-fluoro-2-pyridinyl)cyclopropanecarboxamide;cyclopropanecarbonyl chloride;bis(N-[6-fluoro-5-(furan-3-yl)-2-pyridinyl]cyclopropanecarboxamide);N-[6-fluoro-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide;1-methylpiperazine;6-(4-methylpiperazin-1-yl)-5-(oxolan-3-yl)pyridin-2-amine;bis(N-[6-(4-methylpiperazin-1-yl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide)

C112H140Br2ClF5N24O13 — CID 158563447

IUPAC5-bromo-6-fluoropyridin-2-amine;N-(5-bromo-6-fluoro-2-pyridinyl)cyclopropanecarboxamide;cyclopropanecarbonyl chloride;bis(N-[6-fluoro-5-(furan-3-yl)-2-pyridinyl]cyclopropanecarboxamide);N-[6-fluoro-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide;1-methylpiperazine;6-(4-methylpiperazin-1-yl)-5-(oxolan-3-yl)pyridin-2-amine;bis(N-[6-(4-methylpiperazin-1-yl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide)
SMILESCN1CCN(c2nc(N)ccc2C2CCOC2)CC1.CN1CCN(c2nc(NC(=O)C3CC3)ccc2C2CCOC2)CC1.CN1CCN(c2nc(NC(=O)C3CC3)ccc2C2CCOC2)CC1.CN1CCNCC1.Nc1ccc(Br)c(F)n1.O=C(Cl)C1CC1.O=C(Nc1ccc(-c2ccoc2)c(F)n1)C1CC1.O=C(Nc1ccc(-c2ccoc2)c(F)n1)C1CC1.O=C(Nc1ccc(Br)c(F)n1)C1CC1.O=C(Nc1ccc(C2CCOC2)c(F)n1)C1CC1
InChIInChI=1S/2C18H26N4O2.C14H22N4O.C13H15FN2O2.2C13H11FN2O2.C9H8BrFN2O.C5H4BrFN2.C5H12N2.C4H5ClO/c2*1-21-7-9-22(10-8-21)17-15(14-6-11-24-12-14)4-5-16(19-17)20-18(23)13-2-3-13;1-17-5-7-18(8-6-17)14-12(2-3-13(15)16-14)11-4-9-19-10-11;3*14-12-10(9-5-6-18-7-9)3-4-11(15-12)16-13(17)8-1-2-8;10-6-3-4-7(12-8(6)11)13-9(14)5-1-2-5;6-3-1-2-4(8)9-5(3)7;1-7-4-2-6-3-5-7;5-4(6)3-1-2-3/h2*4-5,13-14H,2-3,6-12H2,1H3,(H,19,20,23);2-3,11H,4-10H2,1H3,(H2,15,16);3-4,8-9H,1-2,5-7H2,(H,15,16,17);2*3-8H,1-2H2,(H,15,16,17);3-5H,1-2H2,(H,12,13,14);1-2H,(H2,8,9);6H,2-5H2,1H3;3H,1-2H2
InChIKeyHREFAGLJEIMORE-UHFFFAOYSA-N
MW2320.76 g/mol
LogP16.60
Rot. Bonds22

About 5-bromo-6-fluoropyridin-2-amine;N-(5-bromo-6-fluoro-2-pyridinyl)cyclopropanecarboxamide;cyclopropanecarbonyl chloride;bis(N-[6-fluoro-5-(furan-3-yl)-2-pyridinyl]cyclopropanecarboxamide);N-[6-fluoro-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide;1-methylpiperazine;6-(4-methylpiperazin-1-yl)-5-(oxolan-3-yl)pyridin-2-amine;bis(N-[6-(4-methylpiperazin-1-yl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide)

5-bromo-6-fluoropyridin-2-amine;N-(5-bromo-6-fluoro-2-pyridinyl)cyclopropanecarboxamide;cyclopropanecarbonyl chloride;bis(N-[6-fluoro-5-(furan-3-yl)-2-pyridinyl]cyclopropanecarboxamide);N-[6-fluoro-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide;1-methylpiperazine;6-(4-methylpiperazin-1-yl)-5-(oxolan-3-yl)pyridin-2-amine;bis(N-[6-(4-methylpiperazin-1-yl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide) (PubChem CID 158563447) has the molecular formula C112H140Br2ClF5N24O13 and a molecular weight of 2320.76 g/mol. Its IUPAC name is 5-bromo-6-fluoropyridin-2-amine;N-(5-bromo-6-fluoro-2-pyridinyl)cyclopropanecarboxamide;cyclopropanecarbonyl chloride;bis(N-[6-fluoro-5-(furan-3-yl)-2-pyridinyl]cyclopropanecarboxamide);N-[6-fluoro-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide;1-methylpiperazine;6-(4-methylpiperazin-1-yl)-5-(oxolan-3-yl)pyridin-2-amine;bis(N-[6-(4-methylpiperazin-1-yl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide).

Molecular Properties

Compound Name5-bromo-6-fluoropyridin-2-amine;N-(5-bromo-6-fluoro-2-pyridinyl)cyclopropanecarboxamide;cyclopropanecarbonyl chloride;bis(N-[6-fluoro-5-(furan-3-yl)-2-pyridinyl]cyclopropanecarboxamide);N-[6-fluoro-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide;1-methylpiperazine;6-(4-methylpiperazin-1-yl)-5-(oxolan-3-yl)pyridin-2-amine;bis(N-[6-(4-methylpiperazin-1-yl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide)
PubChem CID158563447
Molecular FormulaC112H140Br2ClF5N24O13
Molecular Weight2320.76 g/mol
Exact Mass2316.90
IUPAC Name5-bromo-6-fluoropyridin-2-amine;N-(5-bromo-6-fluoro-2-pyridinyl)cyclopropanecarboxamide;cyclopropanecarbonyl chloride;bis(N-[6-fluoro-5-(furan-3-yl)-2-pyridinyl]cyclopropanecarboxamide);N-[6-fluoro-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide;1-methylpiperazine;6-(4-methylpiperazin-1-yl)-5-(oxolan-3-yl)pyridin-2-amine;bis(N-[6-(4-methylpiperazin-1-yl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide)
SMILESCN1CCN(c2nc(N)ccc2C2CCOC2)CC1.CN1CCN(c2nc(NC(=O)C3CC3)ccc2C2CCOC2)CC1.CN1CCN(c2nc(NC(=O)C3CC3)ccc2C2CCOC2)CC1.CN1CCNCC1.Nc1ccc(Br)c(F)n1.O=C(Cl)C1CC1.O=C(Nc1ccc(-c2ccoc2)c(F)n1)C1CC1.O=C(Nc1ccc(-c2ccoc2)c(F)n1)C1CC1.O=C(Nc1ccc(Br)c(F)n1)C1CC1.O=C(Nc1ccc(C2CCOC2)c(F)n1)C1CC1
InChIInChI=1S/2C18H26N4O2.C14H22N4O.C13H15FN2O2.2C13H11FN2O2.C9H8BrFN2O.C5H4BrFN2.C5H12N2.C4H5ClO/c2*1-21-7-9-22(10-8-21)17-15(14-6-11-24-12-14)4-5-16(19-17)20-18(23)13-2-3-13;1-17-5-7-18(8-6-17)14-12(2-3-13(15)16-14)11-4-9-19-10-11;3*14-12-10(9-5-6-18-7-9)3-4-11(15-12)16-13(17)8-1-2-8;10-6-3-4-7(12-8(6)11)13-9(14)5-1-2-5;6-3-1-2-4(8)9-5(3)7;1-7-4-2-6-3-5-7;5-4(6)3-1-2-3/h2*4-5,13-14H,2-3,6-12H2,1H3,(H,19,20,23);2-3,11H,4-10H2,1H3,(H2,15,16);3-4,8-9H,1-2,5-7H2,(H,15,16,17);2*3-8H,1-2H2,(H,15,16,17);3-5H,1-2H2,(H,12,13,14);1-2H,(H2,8,9);6H,2-5H2,1H3;3H,1-2H2
InChIKeyHREFAGLJEIMORE-UHFFFAOYSA-N
XLogP16.60
TPSA444.74 Ų
H-Bond Donors9
H-Bond Acceptors31
Rotatable Bonds22
Heavy Atoms157
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002320.76
LogP ≤ 516.60
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze 5-bromo-6-fluoropyridin-2-amine;N-(5-bromo-6-fluoro-2-pyridinyl)cyclopropanecarboxamide;cyclopropanecarbonyl chloride;bis(N-[6-fluoro-5-(furan-3-yl)-2-pyridinyl]cyclopropanecarboxamide);N-[6-fluoro-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide;1-methylpiperazine;6-(4-methylpiperazin-1-yl)-5-(oxolan-3-yl)pyridin-2-amine;bis(N-[6-(4-methylpiperazin-1-yl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoropyridin-2-amine;N-(5-bromo-6-fluoro-2-pyridinyl)cyclopropanecarboxamide;cyclopropanecarbonyl chloride;bis(N-[6-fluoro-5-(furan-3-yl)-2-pyridinyl]cyclopropanecarboxamide);N-[6-fluoro-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide;1-methylpiperazine;6-(4-methylpiperazin-1-yl)-5-(oxolan-3-yl)pyridin-2-amine;bis(N-[6-(4-methylpiperazin-1-yl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide)?
The IUPAC name of 5-bromo-6-fluoropyridin-2-amine;N-(5-bromo-6-fluoro-2-pyridinyl)cyclopropanecarboxamide;cyclopropanecarbonyl chloride;bis(N-[6-fluoro-5-(furan-3-yl)-2-pyridinyl]cyclopropanecarboxamide);N-[6-fluoro-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide;1-methylpiperazine;6-(4-methylpiperazin-1-yl)-5-(oxolan-3-yl)pyridin-2-amine;bis(N-[6-(4-methylpiperazin-1-yl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide) (CID 158563447) is 5-bromo-6-fluoropyridin-2-amine;N-(5-bromo-6-fluoro-2-pyridinyl)cyclopropanecarboxamide;cyclopropanecarbonyl chloride;bis(N-[6-fluoro-5-(furan-3-yl)-2-pyridinyl]cyclopropanecarboxamide);N-[6-fluoro-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide;1-methylpiperazine;6-(4-methylpiperazin-1-yl)-5-(oxolan-3-yl)pyridin-2-amine;bis(N-[6-(4-methylpiperazin-1-yl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide).
What is the SMILES notation for 5-bromo-6-fluoropyridin-2-amine;N-(5-bromo-6-fluoro-2-pyridinyl)cyclopropanecarboxamide;cyclopropanecarbonyl chloride;bis(N-[6-fluoro-5-(furan-3-yl)-2-pyridinyl]cyclopropanecarboxamide);N-[6-fluoro-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide;1-methylpiperazine;6-(4-methylpiperazin-1-yl)-5-(oxolan-3-yl)pyridin-2-amine;bis(N-[6-(4-methylpiperazin-1-yl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide)?
The canonical SMILES for 5-bromo-6-fluoropyridin-2-amine;N-(5-bromo-6-fluoro-2-pyridinyl)cyclopropanecarboxamide;cyclopropanecarbonyl chloride;bis(N-[6-fluoro-5-(furan-3-yl)-2-pyridinyl]cyclopropanecarboxamide);N-[6-fluoro-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide;1-methylpiperazine;6-(4-methylpiperazin-1-yl)-5-(oxolan-3-yl)pyridin-2-amine;bis(N-[6-(4-methylpiperazin-1-yl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide) is CN1CCN(c2nc(N)ccc2C2CCOC2)CC1.CN1CCN(c2nc(NC(=O)C3CC3)ccc2C2CCOC2)CC1.CN1CCN(c2nc(NC(=O)C3CC3)ccc2C2CCOC2)CC1.CN1CCNCC1.Nc1ccc(Br)c(F)n1.O=C(Cl)C1CC1.O=C(Nc1ccc(-c2ccoc2)c(F)n1)C1CC1.O=C(Nc1ccc(-c2ccoc2)c(F)n1)C1CC1.O=C(Nc1ccc(Br)c(F)n1)C1CC1.O=C(Nc1ccc(C2CCOC2)c(F)n1)C1CC1.
What is the InChIKey of 5-bromo-6-fluoropyridin-2-amine;N-(5-bromo-6-fluoro-2-pyridinyl)cyclopropanecarboxamide;cyclopropanecarbonyl chloride;bis(N-[6-fluoro-5-(furan-3-yl)-2-pyridinyl]cyclopropanecarboxamide);N-[6-fluoro-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide;1-methylpiperazine;6-(4-methylpiperazin-1-yl)-5-(oxolan-3-yl)pyridin-2-amine;bis(N-[6-(4-methylpiperazin-1-yl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide)?
The InChIKey is HREFAGLJEIMORE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H26N4O2.C14H22N4O.C13H15FN2O2.2C13H11FN2O2.C9H8BrFN2O.C5H4BrFN2.C5H12N2.C4H5ClO/c2*1-21-7-9-22(10-8-21)17-15(14-6-11-24-12-14)4-5-16(19-17)20-18(23)13-2-3-13;1-17-5-7-18(8-6-17)14-12(2-3-13(15)16-14)11-4-9-19-10-11;3*14-12-10(9-5-6-18-7-9)3-4-11(15-12)16-13(17)8-1-2-8;10-6-3-4-7(12-8(6)11)13-9(14)5-1-2-5;6-3-1-2-4(8)9-5(3)7;1-7-4-2-6-3-5-7;5-4(6)3-1-2-3/h2*4-5,13-14H,2-3,6-12H2,1H3,(H,19,20,23);2-3,11H,4-10H2,1H3,(H2,15,16);3-4,8-9H,1-2,5-7H2,(H,15,16,17);2*3-8H,1-2H2,(H,15,16,17);3-5H,1-2H2,(H,12,13,14);1-2H,(H2,8,9);6H,2-5H2,1H3;3H,1-2H2.
What are the key properties of 5-bromo-6-fluoropyridin-2-amine;N-(5-bromo-6-fluoro-2-pyridinyl)cyclopropanecarboxamide;cyclopropanecarbonyl chloride;bis(N-[6-fluoro-5-(furan-3-yl)-2-pyridinyl]cyclopropanecarboxamide);N-[6-fluoro-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide;1-methylpiperazine;6-(4-methylpiperazin-1-yl)-5-(oxolan-3-yl)pyridin-2-amine;bis(N-[6-(4-methylpiperazin-1-yl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide)?
5-bromo-6-fluoropyridin-2-amine;N-(5-bromo-6-fluoro-2-pyridinyl)cyclopropanecarboxamide;cyclopropanecarbonyl chloride;bis(N-[6-fluoro-5-(furan-3-yl)-2-pyridinyl]cyclopropanecarboxamide);N-[6-fluoro-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide;1-methylpiperazine;6-(4-methylpiperazin-1-yl)-5-(oxolan-3-yl)pyridin-2-amine;bis(N-[6-(4-methylpiperazin-1-yl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide) has a molecular weight of 2320.76 g/mol, XLogP of 16.60, 22 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoropyridin-2-amine;N-(5-bromo-6-fluoro-2-pyridinyl)cyclopropanecarboxamide;cyclopropanecarbonyl chloride;bis(N-[6-fluoro-5-(furan-3-yl)-2-pyridinyl]cyclopropanecarboxamide);N-[6-fluoro-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide;1-methylpiperazine;6-(4-methylpiperazin-1-yl)-5-(oxolan-3-yl)pyridin-2-amine;bis(N-[6-(4-methylpiperazin-1-yl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide) is sourced from PubChem (CID 158563447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).