3-bromo-2-(1,1-difluoroethyl)-5-fluoropyridine;3-bromo-2-(1-ethoxyethenyl)-5-fluoropyridine;1-(3-bromo-5-fluoro-2-pyridinyl)ethanone;2,3-dibromo-5-fluoropyridine;tributyl(1-ethoxyethenyl)stannane

C44H55Br5F6N4O3Sn — CID 165072282

IUPAC3-bromo-2-(1,1-difluoroethyl)-5-fluoropyridine;3-bromo-2-(1-ethoxyethenyl)-5-fluoropyridine;1-(3-bromo-5-fluoro-2-pyridinyl)ethanone;2,3-dibromo-5-fluoropyridine;tributyl(1-ethoxyethenyl)stannane
SMILESC=C(OCC)[Sn](CCCC)(CCCC)CCCC.C=C(OCC)c1ncc(F)cc1Br.CC(=O)c1ncc(F)cc1Br.CC(F)(F)c1ncc(F)cc1Br.Fc1cnc(Br)c(Br)c1
InChIInChI=1S/C9H9BrFNO.C7H5BrF3N.C7H5BrFNO.C5H2Br2FN.C4H7O.3C4H9.Sn/c1-3-13-6(2)9-8(10)4-7(11)5-12-9;1-7(10,11)6-5(8)2-4(9)3-12-6;1-4(11)7-6(8)2-5(9)3-10-7;6-4-1-3(8)2-9-5(4)7;1-3-5-4-2;3*1-3-4-2;/h4-5H,2-3H2,1H3;2-3H,1H3;2-3H,1H3;1-2H;1,4H2,2H3;3*1,3-4H2,2H3;
InChIKeySYWABRHQWKXIPA-UHFFFAOYSA-N
MW1320.17 g/mol
LogP16.94
Rot. Bonds17

About 3-bromo-2-(1,1-difluoroethyl)-5-fluoropyridine;3-bromo-2-(1-ethoxyethenyl)-5-fluoropyridine;1-(3-bromo-5-fluoro-2-pyridinyl)ethanone;2,3-dibromo-5-fluoropyridine;tributyl(1-ethoxyethenyl)stannane

3-bromo-2-(1,1-difluoroethyl)-5-fluoropyridine;3-bromo-2-(1-ethoxyethenyl)-5-fluoropyridine;1-(3-bromo-5-fluoro-2-pyridinyl)ethanone;2,3-dibromo-5-fluoropyridine;tributyl(1-ethoxyethenyl)stannane (PubChem CID 165072282) has the molecular formula C44H55Br5F6N4O3Sn and a molecular weight of 1320.17 g/mol. Its IUPAC name is 3-bromo-2-(1,1-difluoroethyl)-5-fluoropyridine;3-bromo-2-(1-ethoxyethenyl)-5-fluoropyridine;1-(3-bromo-5-fluoro-2-pyridinyl)ethanone;2,3-dibromo-5-fluoropyridine;tributyl(1-ethoxyethenyl)stannane.

Molecular Properties

Compound Name3-bromo-2-(1,1-difluoroethyl)-5-fluoropyridine;3-bromo-2-(1-ethoxyethenyl)-5-fluoropyridine;1-(3-bromo-5-fluoro-2-pyridinyl)ethanone;2,3-dibromo-5-fluoropyridine;tributyl(1-ethoxyethenyl)stannane
PubChem CID165072282
Molecular FormulaC44H55Br5F6N4O3Sn
Molecular Weight1320.17 g/mol
Exact Mass1315.91
IUPAC Name3-bromo-2-(1,1-difluoroethyl)-5-fluoropyridine;3-bromo-2-(1-ethoxyethenyl)-5-fluoropyridine;1-(3-bromo-5-fluoro-2-pyridinyl)ethanone;2,3-dibromo-5-fluoropyridine;tributyl(1-ethoxyethenyl)stannane
SMILESC=C(OCC)[Sn](CCCC)(CCCC)CCCC.C=C(OCC)c1ncc(F)cc1Br.CC(=O)c1ncc(F)cc1Br.CC(F)(F)c1ncc(F)cc1Br.Fc1cnc(Br)c(Br)c1
InChIInChI=1S/C9H9BrFNO.C7H5BrF3N.C7H5BrFNO.C5H2Br2FN.C4H7O.3C4H9.Sn/c1-3-13-6(2)9-8(10)4-7(11)5-12-9;1-7(10,11)6-5(8)2-4(9)3-12-6;1-4(11)7-6(8)2-5(9)3-10-7;6-4-1-3(8)2-9-5(4)7;1-3-5-4-2;3*1-3-4-2;/h4-5H,2-3H2,1H3;2-3H,1H3;2-3H,1H3;1-2H;1,4H2,2H3;3*1,3-4H2,2H3;
InChIKeySYWABRHQWKXIPA-UHFFFAOYSA-N
XLogP16.94
TPSA87.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001320.17
LogP ≤ 516.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-Bromo-2-ethyl-3-fluoropyridine;5-bromo-3-fluoropyridine-2-carboxylic acid;(5-bromo-3-fluoro-2-pyridinyl)methanol;deuterioethane;methanol;methyl 5-bromo-3-fluoropyridine-2-carboxylate;bis(thionyl dichloride)
CID 158888921
CID 160059457
CID 160059457

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(1,1-difluoroethyl)-5-fluoropyridine;3-bromo-2-(1-ethoxyethenyl)-5-fluoropyridine;1-(3-bromo-5-fluoro-2-pyridinyl)ethanone;2,3-dibromo-5-fluoropyridine;tributyl(1-ethoxyethenyl)stannane?
The IUPAC name of 3-bromo-2-(1,1-difluoroethyl)-5-fluoropyridine;3-bromo-2-(1-ethoxyethenyl)-5-fluoropyridine;1-(3-bromo-5-fluoro-2-pyridinyl)ethanone;2,3-dibromo-5-fluoropyridine;tributyl(1-ethoxyethenyl)stannane (CID 165072282) is 3-bromo-2-(1,1-difluoroethyl)-5-fluoropyridine;3-bromo-2-(1-ethoxyethenyl)-5-fluoropyridine;1-(3-bromo-5-fluoro-2-pyridinyl)ethanone;2,3-dibromo-5-fluoropyridine;tributyl(1-ethoxyethenyl)stannane.
What is the SMILES notation for 3-bromo-2-(1,1-difluoroethyl)-5-fluoropyridine;3-bromo-2-(1-ethoxyethenyl)-5-fluoropyridine;1-(3-bromo-5-fluoro-2-pyridinyl)ethanone;2,3-dibromo-5-fluoropyridine;tributyl(1-ethoxyethenyl)stannane?
The canonical SMILES for 3-bromo-2-(1,1-difluoroethyl)-5-fluoropyridine;3-bromo-2-(1-ethoxyethenyl)-5-fluoropyridine;1-(3-bromo-5-fluoro-2-pyridinyl)ethanone;2,3-dibromo-5-fluoropyridine;tributyl(1-ethoxyethenyl)stannane is C=C(OCC)[Sn](CCCC)(CCCC)CCCC.C=C(OCC)c1ncc(F)cc1Br.CC(=O)c1ncc(F)cc1Br.CC(F)(F)c1ncc(F)cc1Br.Fc1cnc(Br)c(Br)c1.
What is the InChIKey of 3-bromo-2-(1,1-difluoroethyl)-5-fluoropyridine;3-bromo-2-(1-ethoxyethenyl)-5-fluoropyridine;1-(3-bromo-5-fluoro-2-pyridinyl)ethanone;2,3-dibromo-5-fluoropyridine;tributyl(1-ethoxyethenyl)stannane?
The InChIKey is SYWABRHQWKXIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO.C7H5BrF3N.C7H5BrFNO.C5H2Br2FN.C4H7O.3C4H9.Sn/c1-3-13-6(2)9-8(10)4-7(11)5-12-9;1-7(10,11)6-5(8)2-4(9)3-12-6;1-4(11)7-6(8)2-5(9)3-10-7;6-4-1-3(8)2-9-5(4)7;1-3-5-4-2;3*1-3-4-2;/h4-5H,2-3H2,1H3;2-3H,1H3;2-3H,1H3;1-2H;1,4H2,2H3;3*1,3-4H2,2H3;.
What are the key properties of 3-bromo-2-(1,1-difluoroethyl)-5-fluoropyridine;3-bromo-2-(1-ethoxyethenyl)-5-fluoropyridine;1-(3-bromo-5-fluoro-2-pyridinyl)ethanone;2,3-dibromo-5-fluoropyridine;tributyl(1-ethoxyethenyl)stannane?
3-bromo-2-(1,1-difluoroethyl)-5-fluoropyridine;3-bromo-2-(1-ethoxyethenyl)-5-fluoropyridine;1-(3-bromo-5-fluoro-2-pyridinyl)ethanone;2,3-dibromo-5-fluoropyridine;tributyl(1-ethoxyethenyl)stannane has a molecular weight of 1320.17 g/mol, XLogP of 16.94, 17 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(1,1-difluoroethyl)-5-fluoropyridine;3-bromo-2-(1-ethoxyethenyl)-5-fluoropyridine;1-(3-bromo-5-fluoro-2-pyridinyl)ethanone;2,3-dibromo-5-fluoropyridine;tributyl(1-ethoxyethenyl)stannane is sourced from PubChem (CID 165072282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).