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)

C29H30Br4Cl4F4N4O8S2 — CID 158888921

IUPAC5-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)
SMILESCCc1ncc(Br)cc1F.CO.COC(=O)c1ncc(Br)cc1F.O=C(O)c1ncc(Br)cc1F.O=S(Cl)Cl.O=S(Cl)Cl.OCc1ncc(Br)cc1F.[2H]CC
InChIInChI=1S/C7H5BrFNO2.C7H7BrFN.C6H3BrFNO2.C6H5BrFNO.C2H6.CH4O.2Cl2OS/c1-12-7(11)6-5(9)2-4(8)3-10-6;1-2-7-6(9)3-5(8)4-10-7;7-3-1-4(8)5(6(10)11)9-2-3;7-4-1-5(8)6(3-10)9-2-4;2*1-2;2*1-4(2)3/h2-3H,1H3;3-4H,2H2,1H3;1-2H,(H,10,11);1-2,10H,3H2;1-2H3;2H,1H3;;/i;;;;1D;;;
InChIKeyJDZAGMFSIPLFAL-TTZHHZLVSA-N
MW1165.14 g/mol
LogP10.19
Rot. Bonds4

About 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)

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) (PubChem CID 158888921) has the molecular formula C29H30Br4Cl4F4N4O8S2 and a molecular weight of 1165.14 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Name5-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)
PubChem CID158888921
Molecular FormulaC29H30Br4Cl4F4N4O8S2
Molecular Weight1165.14 g/mol
Exact Mass1158.70
IUPAC Name5-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)
SMILESCCc1ncc(Br)cc1F.CO.COC(=O)c1ncc(Br)cc1F.O=C(O)c1ncc(Br)cc1F.O=S(Cl)Cl.O=S(Cl)Cl.OCc1ncc(Br)cc1F.[2H]CC
InChIInChI=1S/C7H5BrFNO2.C7H7BrFN.C6H3BrFNO2.C6H5BrFNO.C2H6.CH4O.2Cl2OS/c1-12-7(11)6-5(9)2-4(8)3-10-6;1-2-7-6(9)3-5(8)4-10-7;7-3-1-4(8)5(6(10)11)9-2-3;7-4-1-5(8)6(3-10)9-2-4;2*1-2;2*1-4(2)3/h2-3H,1H3;3-4H,2H2,1H3;1-2H,(H,10,11);1-2,10H,3H2;1-2H3;2H,1H3;;/i;;;;1D;;;
InChIKeyJDZAGMFSIPLFAL-TTZHHZLVSA-N
XLogP10.19
TPSA189.76 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001165.14
LogP ≤ 510.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 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) with MolForge

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Related Compounds

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
5-Bromo-2-ethenyl-4-methylpyridine;5-bromo-4-methylpyridine-2-carboxylic acid;2,5-dibromo-4-methylpyridine;methyl 5-bromo-4-methylpyridine-2-carboxylate
CID 158127479
2-(Chloromethyl)-3,5-difluoropyridine;3,5-difluoropyridine-2-carboxylic acid;(3,5-difluoro-2-pyridinyl)methanol;ethyl 3,5-difluoropyridine-2-carboxylate;thionyl dichloride
CID 158854402
5-(3-Fluoroprop-1-ynyl)pyridine-2-carboxylic acid;methyl 5-bromopyridine-2-carboxylate;methyl 5-(3-fluoroprop-1-ynyl)pyridine-2-carboxylate;methyl 5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxylate
CID 159041144
5-Bromo-2-methylpyridine;5-bromopyridine-2-carboxylic acid;ethyl 5-bromopyridine-2-carboxylate
CID 159192438
CID 160059457
CID 160059457
5-Bromo-2-(chloromethyl)-3-fluoropyridine;5-bromo-3-fluoropyridine-2-carboxylic acid;(5-bromo-3-fluoro-2-pyridinyl)methanol;deuterioethane;methane;methanol;methyl 5-bromo-3-fluoropyridine-2-carboxylate;bis(thionyl dichloride)
CID 161691250
2-[Chloro(dideuterio)methyl]-3,5-difluoropyridine;dideuterio-(3,5-difluoro-2-pyridinyl)methanol;3,5-difluoropyridine-2-carboxylic acid;methyl 3,5-difluoropyridine-2-carboxylate
CID 167672823
3-Chloro-2-(chloromethyl)-5-fluoropyridine;3-chloro-5-fluoropyridine-2-carboxylic acid;(3-chloro-5-fluoro-2-pyridinyl)methanol;ethyl 3-chloro-5-fluoropyridine-2-carboxylate
CID 168390697
2-(Chloromethyl)-3,5-difluoropyridine;3,5-difluoropyridine-2-carboxylic acid;1-(3,5-difluoro-2-pyridinyl)ethanone;(3,5-difluoro-2-pyridinyl)methanol;thionyl dichloride
CID 168405451

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is CCc1ncc(Br)cc1F.CO.COC(=O)c1ncc(Br)cc1F.O=C(O)c1ncc(Br)cc1F.O=S(Cl)Cl.O=S(Cl)Cl.OCc1ncc(Br)cc1F.[2H]CC.
What is the InChIKey of 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)?
The InChIKey is JDZAGMFSIPLFAL-TTZHHZLVSA-N. The full InChI is InChI=1S/C7H5BrFNO2.C7H7BrFN.C6H3BrFNO2.C6H5BrFNO.C2H6.CH4O.2Cl2OS/c1-12-7(11)6-5(9)2-4(8)3-10-6;1-2-7-6(9)3-5(8)4-10-7;7-3-1-4(8)5(6(10)11)9-2-3;7-4-1-5(8)6(3-10)9-2-4;2*1-2;2*1-4(2)3/h2-3H,1H3;3-4H,2H2,1H3;1-2H,(H,10,11);1-2,10H,3H2;1-2H3;2H,1H3;;/i;;;;1D;;;.
What are the key properties of 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)?
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) has a molecular weight of 1165.14 g/mol, XLogP of 10.19, 4 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 158888921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).