2-amino-1-(6-bromo-5-fluoro-2-pyridinyl)ethanol;3-bromo-1-(6-bromo-5-fluoro-2-pyridinyl)propan-1-ol;2-bromo-6-(1-ethoxyethenyl)-3-fluoropyridine;4-(6-bromo-5-fluoro-2-pyridinyl)-4-hydroxy-1-[3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]butan-1-one;bromomethyl 6-bromo-5-fluoropyridine-2-carboxylate;2,6-dibromo-3-fluoropyridine;tributyl(1-ethoxyethenyl)stannane

C78H92Br9F6N7O12Sn — CID 158944672

IUPAC2-amino-1-(6-bromo-5-fluoro-2-pyridinyl)ethanol;3-bromo-1-(6-bromo-5-fluoro-2-pyridinyl)propan-1-ol;2-bromo-6-(1-ethoxyethenyl)-3-fluoropyridine;4-(6-bromo-5-fluoro-2-pyridinyl)-4-hydroxy-1-[3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]butan-1-one;bromomethyl 6-bromo-5-fluoropyridine-2-carboxylate;2,6-dibromo-3-fluoropyridine;tributyl(1-ethoxyethenyl)stannane
SMILESC=C(OCC)[Sn](CCCC)(CCCC)CCCC.C=C(OCC)c1ccc(F)c(Br)n1.COc1ccc(COCCOc2ccc(C(=O)CCC(O)c3ccc(F)c(Br)n3)cc2OC)cc1.Fc1ccc(Br)nc1Br.NCC(O)c1ccc(F)c(Br)n1.O=C(OCBr)c1ccc(F)c(Br)n1.OC(CCBr)c1ccc(F)c(Br)n1
InChIInChI=1S/C26H27BrFNO6.C9H9BrFNO.C8H8Br2FNO.C7H4Br2FNO2.C7H8BrFN2O.C5H2Br2FN.C4H7O.3C4H9.Sn/c1-32-19-6-3-17(4-7-19)16-34-13-14-35-24-12-5-18(15-25(24)33-2)22(30)10-11-23(31)21-9-8-20(28)26(27)29-21;1-3-13-6(2)8-5-4-7(11)9(10)12-8;9-4-3-7(13)6-2-1-5(11)8(10)12-6;8-3-13-7(12)5-2-1-4(10)6(9)11-5;8-7-4(9)1-2-5(11-7)6(12)3-10;6-4-2-1-3(8)5(7)9-4;1-3-5-4-2;3*1-3-4-2;/h3-9,12,15,23,31H,10-11,13-14,16H2,1-2H3;4-5H,2-3H2,1H3;1-2,7,13H,3-4H2;1-2H,3H2;1-2,6,12H,3,10H2;1-2H;1,4H2,2H3;3*1,3-4H2,2H3;
InChIKeyJKRDHGQESPEULV-UHFFFAOYSA-N
MW2271.47 g/mol
LogP23.22
Rot. Bonds35

About 2-amino-1-(6-bromo-5-fluoro-2-pyridinyl)ethanol;3-bromo-1-(6-bromo-5-fluoro-2-pyridinyl)propan-1-ol;2-bromo-6-(1-ethoxyethenyl)-3-fluoropyridine;4-(6-bromo-5-fluoro-2-pyridinyl)-4-hydroxy-1-[3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]butan-1-one;bromomethyl 6-bromo-5-fluoropyridine-2-carboxylate;2,6-dibromo-3-fluoropyridine;tributyl(1-ethoxyethenyl)stannane

2-amino-1-(6-bromo-5-fluoro-2-pyridinyl)ethanol;3-bromo-1-(6-bromo-5-fluoro-2-pyridinyl)propan-1-ol;2-bromo-6-(1-ethoxyethenyl)-3-fluoropyridine;4-(6-bromo-5-fluoro-2-pyridinyl)-4-hydroxy-1-[3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]butan-1-one;bromomethyl 6-bromo-5-fluoropyridine-2-carboxylate;2,6-dibromo-3-fluoropyridine;tributyl(1-ethoxyethenyl)stannane (PubChem CID 158944672) has the molecular formula C78H92Br9F6N7O12Sn and a molecular weight of 2271.47 g/mol. Its IUPAC name is 2-amino-1-(6-bromo-5-fluoro-2-pyridinyl)ethanol;3-bromo-1-(6-bromo-5-fluoro-2-pyridinyl)propan-1-ol;2-bromo-6-(1-ethoxyethenyl)-3-fluoropyridine;4-(6-bromo-5-fluoro-2-pyridinyl)-4-hydroxy-1-[3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]butan-1-one;bromomethyl 6-bromo-5-fluoropyridine-2-carboxylate;2,6-dibromo-3-fluoropyridine;tributyl(1-ethoxyethenyl)stannane.

Molecular Properties

Compound Name2-amino-1-(6-bromo-5-fluoro-2-pyridinyl)ethanol;3-bromo-1-(6-bromo-5-fluoro-2-pyridinyl)propan-1-ol;2-bromo-6-(1-ethoxyethenyl)-3-fluoropyridine;4-(6-bromo-5-fluoro-2-pyridinyl)-4-hydroxy-1-[3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]butan-1-one;bromomethyl 6-bromo-5-fluoropyridine-2-carboxylate;2,6-dibromo-3-fluoropyridine;tributyl(1-ethoxyethenyl)stannane
PubChem CID158944672
Molecular FormulaC78H92Br9F6N7O12Sn
Molecular Weight2271.47 g/mol
Exact Mass2262.84
IUPAC Name2-amino-1-(6-bromo-5-fluoro-2-pyridinyl)ethanol;3-bromo-1-(6-bromo-5-fluoro-2-pyridinyl)propan-1-ol;2-bromo-6-(1-ethoxyethenyl)-3-fluoropyridine;4-(6-bromo-5-fluoro-2-pyridinyl)-4-hydroxy-1-[3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]butan-1-one;bromomethyl 6-bromo-5-fluoropyridine-2-carboxylate;2,6-dibromo-3-fluoropyridine;tributyl(1-ethoxyethenyl)stannane
SMILESC=C(OCC)[Sn](CCCC)(CCCC)CCCC.C=C(OCC)c1ccc(F)c(Br)n1.COc1ccc(COCCOc2ccc(C(=O)CCC(O)c3ccc(F)c(Br)n3)cc2OC)cc1.Fc1ccc(Br)nc1Br.NCC(O)c1ccc(F)c(Br)n1.O=C(OCBr)c1ccc(F)c(Br)n1.OC(CCBr)c1ccc(F)c(Br)n1
InChIInChI=1S/C26H27BrFNO6.C9H9BrFNO.C8H8Br2FNO.C7H4Br2FNO2.C7H8BrFN2O.C5H2Br2FN.C4H7O.3C4H9.Sn/c1-32-19-6-3-17(4-7-19)16-34-13-14-35-24-12-5-18(15-25(24)33-2)22(30)10-11-23(31)21-9-8-20(28)26(27)29-21;1-3-13-6(2)8-5-4-7(11)9(10)12-8;9-4-3-7(13)6-2-1-5(11)8(10)12-6;8-3-13-7(12)5-2-1-4(10)6(9)11-5;8-7-4(9)1-2-5(11-7)6(12)3-10;6-4-2-1-3(8)5(7)9-4;1-3-5-4-2;3*1-3-4-2;/h3-9,12,15,23,31H,10-11,13-14,16H2,1-2H3;4-5H,2-3H2,1H3;1-2,7,13H,3-4H2;1-2H,3H2;1-2,6,12H,3,10H2;1-2H;1,4H2,2H3;3*1,3-4H2,2H3;
InChIKeyJKRDHGQESPEULV-UHFFFAOYSA-N
XLogP23.22
TPSA262.80 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds35
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002271.47
LogP ≤ 523.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-amino-1-(6-bromo-5-fluoro-2-pyridinyl)ethanol;3-bromo-1-(6-bromo-5-fluoro-2-pyridinyl)propan-1-ol;2-bromo-6-(1-ethoxyethenyl)-3-fluoropyridine;4-(6-bromo-5-fluoro-2-pyridinyl)-4-hydroxy-1-[3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]butan-1-one;bromomethyl 6-bromo-5-fluoropyridine-2-carboxylate;2,6-dibromo-3-fluoropyridine;tributyl(1-ethoxyethenyl)stannane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(6-bromo-5-fluoro-2-pyridinyl)ethanol;3-bromo-1-(6-bromo-5-fluoro-2-pyridinyl)propan-1-ol;2-bromo-6-(1-ethoxyethenyl)-3-fluoropyridine;4-(6-bromo-5-fluoro-2-pyridinyl)-4-hydroxy-1-[3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]butan-1-one;bromomethyl 6-bromo-5-fluoropyridine-2-carboxylate;2,6-dibromo-3-fluoropyridine;tributyl(1-ethoxyethenyl)stannane?
The IUPAC name of 2-amino-1-(6-bromo-5-fluoro-2-pyridinyl)ethanol;3-bromo-1-(6-bromo-5-fluoro-2-pyridinyl)propan-1-ol;2-bromo-6-(1-ethoxyethenyl)-3-fluoropyridine;4-(6-bromo-5-fluoro-2-pyridinyl)-4-hydroxy-1-[3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]butan-1-one;bromomethyl 6-bromo-5-fluoropyridine-2-carboxylate;2,6-dibromo-3-fluoropyridine;tributyl(1-ethoxyethenyl)stannane (CID 158944672) is 2-amino-1-(6-bromo-5-fluoro-2-pyridinyl)ethanol;3-bromo-1-(6-bromo-5-fluoro-2-pyridinyl)propan-1-ol;2-bromo-6-(1-ethoxyethenyl)-3-fluoropyridine;4-(6-bromo-5-fluoro-2-pyridinyl)-4-hydroxy-1-[3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]butan-1-one;bromomethyl 6-bromo-5-fluoropyridine-2-carboxylate;2,6-dibromo-3-fluoropyridine;tributyl(1-ethoxyethenyl)stannane.
What is the SMILES notation for 2-amino-1-(6-bromo-5-fluoro-2-pyridinyl)ethanol;3-bromo-1-(6-bromo-5-fluoro-2-pyridinyl)propan-1-ol;2-bromo-6-(1-ethoxyethenyl)-3-fluoropyridine;4-(6-bromo-5-fluoro-2-pyridinyl)-4-hydroxy-1-[3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]butan-1-one;bromomethyl 6-bromo-5-fluoropyridine-2-carboxylate;2,6-dibromo-3-fluoropyridine;tributyl(1-ethoxyethenyl)stannane?
The canonical SMILES for 2-amino-1-(6-bromo-5-fluoro-2-pyridinyl)ethanol;3-bromo-1-(6-bromo-5-fluoro-2-pyridinyl)propan-1-ol;2-bromo-6-(1-ethoxyethenyl)-3-fluoropyridine;4-(6-bromo-5-fluoro-2-pyridinyl)-4-hydroxy-1-[3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]butan-1-one;bromomethyl 6-bromo-5-fluoropyridine-2-carboxylate;2,6-dibromo-3-fluoropyridine;tributyl(1-ethoxyethenyl)stannane is C=C(OCC)[Sn](CCCC)(CCCC)CCCC.C=C(OCC)c1ccc(F)c(Br)n1.COc1ccc(COCCOc2ccc(C(=O)CCC(O)c3ccc(F)c(Br)n3)cc2OC)cc1.Fc1ccc(Br)nc1Br.NCC(O)c1ccc(F)c(Br)n1.O=C(OCBr)c1ccc(F)c(Br)n1.OC(CCBr)c1ccc(F)c(Br)n1.
What is the InChIKey of 2-amino-1-(6-bromo-5-fluoro-2-pyridinyl)ethanol;3-bromo-1-(6-bromo-5-fluoro-2-pyridinyl)propan-1-ol;2-bromo-6-(1-ethoxyethenyl)-3-fluoropyridine;4-(6-bromo-5-fluoro-2-pyridinyl)-4-hydroxy-1-[3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]butan-1-one;bromomethyl 6-bromo-5-fluoropyridine-2-carboxylate;2,6-dibromo-3-fluoropyridine;tributyl(1-ethoxyethenyl)stannane?
The InChIKey is JKRDHGQESPEULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27BrFNO6.C9H9BrFNO.C8H8Br2FNO.C7H4Br2FNO2.C7H8BrFN2O.C5H2Br2FN.C4H7O.3C4H9.Sn/c1-32-19-6-3-17(4-7-19)16-34-13-14-35-24-12-5-18(15-25(24)33-2)22(30)10-11-23(31)21-9-8-20(28)26(27)29-21;1-3-13-6(2)8-5-4-7(11)9(10)12-8;9-4-3-7(13)6-2-1-5(11)8(10)12-6;8-3-13-7(12)5-2-1-4(10)6(9)11-5;8-7-4(9)1-2-5(11-7)6(12)3-10;6-4-2-1-3(8)5(7)9-4;1-3-5-4-2;3*1-3-4-2;/h3-9,12,15,23,31H,10-11,13-14,16H2,1-2H3;4-5H,2-3H2,1H3;1-2,7,13H,3-4H2;1-2H,3H2;1-2,6,12H,3,10H2;1-2H;1,4H2,2H3;3*1,3-4H2,2H3;.
What are the key properties of 2-amino-1-(6-bromo-5-fluoro-2-pyridinyl)ethanol;3-bromo-1-(6-bromo-5-fluoro-2-pyridinyl)propan-1-ol;2-bromo-6-(1-ethoxyethenyl)-3-fluoropyridine;4-(6-bromo-5-fluoro-2-pyridinyl)-4-hydroxy-1-[3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]butan-1-one;bromomethyl 6-bromo-5-fluoropyridine-2-carboxylate;2,6-dibromo-3-fluoropyridine;tributyl(1-ethoxyethenyl)stannane?
2-amino-1-(6-bromo-5-fluoro-2-pyridinyl)ethanol;3-bromo-1-(6-bromo-5-fluoro-2-pyridinyl)propan-1-ol;2-bromo-6-(1-ethoxyethenyl)-3-fluoropyridine;4-(6-bromo-5-fluoro-2-pyridinyl)-4-hydroxy-1-[3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]butan-1-one;bromomethyl 6-bromo-5-fluoropyridine-2-carboxylate;2,6-dibromo-3-fluoropyridine;tributyl(1-ethoxyethenyl)stannane has a molecular weight of 2271.47 g/mol, XLogP of 23.22, 35 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(6-bromo-5-fluoro-2-pyridinyl)ethanol;3-bromo-1-(6-bromo-5-fluoro-2-pyridinyl)propan-1-ol;2-bromo-6-(1-ethoxyethenyl)-3-fluoropyridine;4-(6-bromo-5-fluoro-2-pyridinyl)-4-hydroxy-1-[3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]butan-1-one;bromomethyl 6-bromo-5-fluoropyridine-2-carboxylate;2,6-dibromo-3-fluoropyridine;tributyl(1-ethoxyethenyl)stannane is sourced from PubChem (CID 158944672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).