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;bis(N-[6-(4-methylpiperazin-1-yl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide)

C98H118Br2ClF5N20O12 — CID 159384463

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;bis(N-[6-(4-methylpiperazin-1-yl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide)
SMILESCN1CCN(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.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;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);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
InChIKeyLLHYGKJEGLRYJK-UHFFFAOYSA-N
MW2058.40 g/mol
LogP15.68
Rot. Bonds20

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;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;bis(N-[6-(4-methylpiperazin-1-yl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide) (PubChem CID 159384463) has the molecular formula C98H118Br2ClF5N20O12 and a molecular weight of 2058.40 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;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;bis(N-[6-(4-methylpiperazin-1-yl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide)
PubChem CID159384463
Molecular FormulaC98H118Br2ClF5N20O12
Molecular Weight2058.40 g/mol
Exact Mass2054.72
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;bis(N-[6-(4-methylpiperazin-1-yl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide)
SMILESCN1CCN(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.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;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);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
InChIKeyLLHYGKJEGLRYJK-UHFFFAOYSA-N
XLogP15.68
TPSA390.12 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds20
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002058.40
LogP ≤ 515.68
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

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;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;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;bis(N-[6-(4-methylpiperazin-1-yl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide) (CID 159384463) 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;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;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;bis(N-[6-(4-methylpiperazin-1-yl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide) is 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;bis(N-[6-(4-methylpiperazin-1-yl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide)?
The InChIKey is LLHYGKJEGLRYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H26N4O2.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;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);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;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;bis(N-[6-(4-methylpiperazin-1-yl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide) has a molecular weight of 2058.40 g/mol, XLogP of 15.68, 20 rotatable bonds, 8 hydrogen bond donors, and 26 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;bis(N-[6-(4-methylpiperazin-1-yl)-5-(oxolan-3-yl)-2-pyridinyl]cyclopropanecarboxamide) is sourced from PubChem (CID 159384463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).