1-(5-bromo-3-methoxy-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride

C10H10BrFN2O4S — CID 168714145

IUPAC1-(5-bromo-3-methoxy-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCOc1cc(Br)cnc1N1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C10H10BrFN2O4S/c1-18-8-2-6(11)4-13-10(8)14-5-7(3-9(14)15)19(12,16)17/h2,4,7H,3,5H2,1H3
InChIKeyCOXGIUPPRCBBHB-UHFFFAOYSA-N
MW353.17 g/mol
LogP1.26
Rot. Bonds3

About 1-(5-bromo-3-methoxy-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(5-bromo-3-methoxy-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168714145) has the molecular formula C10H10BrFN2O4S and a molecular weight of 353.17 g/mol. Its IUPAC name is 1-(5-bromo-3-methoxy-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(5-bromo-3-methoxy-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168714145
Molecular FormulaC10H10BrFN2O4S
Molecular Weight353.17 g/mol
Exact Mass351.95
IUPAC Name1-(5-bromo-3-methoxy-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCOc1cc(Br)cnc1N1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C10H10BrFN2O4S/c1-18-8-2-6(11)4-13-10(8)14-5-7(3-9(14)15)19(12,16)17/h2,4,7H,3,5H2,1H3
InChIKeyCOXGIUPPRCBBHB-UHFFFAOYSA-N
XLogP1.26
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.17
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-(5-bromo-3-methoxy-2-pyridinyl)pyrrolidin-2-one
CID 168699602
1-(5-bromo-3-methoxy-2-pyridinyl)-4-chloropyrrolidin-2-one
CID 168687878
1-(4-bromo-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714044
1-(5-bromo-3-methoxy-2-pyridinyl)-4-ethynylpyrrolidin-2-one
CID 168500913
1-(3-bromo-5-chloropyrazin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715138
1-(5-bromo-3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711824
1-(5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715532
1-(5-fluoro-3-iodo-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715776
1-(3-amino-5-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715947
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715768
1-(2,6-dibromo-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715899
1-(2-bromo-5-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715944

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methoxy-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(5-bromo-3-methoxy-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168714145) is 1-(5-bromo-3-methoxy-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(5-bromo-3-methoxy-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(5-bromo-3-methoxy-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride is COc1cc(Br)cnc1N1CC(S(=O)(=O)F)CC1=O.
What is the InChIKey of 1-(5-bromo-3-methoxy-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is COXGIUPPRCBBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN2O4S/c1-18-8-2-6(11)4-13-10(8)14-5-7(3-9(14)15)19(12,16)17/h2,4,7H,3,5H2,1H3.
What are the key properties of 1-(5-bromo-3-methoxy-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(5-bromo-3-methoxy-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 353.17 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methoxy-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168714145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).