1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride

C10H8ClFN4O3S — CID 168716309

IUPAC1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1nc2ccc(Cl)cn2n1
InChIInChI=1S/C10H8ClFN4O3S/c11-6-1-2-8-13-10(14-16(8)4-6)15-5-7(3-9(15)17)20(12,18)19/h1-2,4,7H,3,5H2
InChIKeyBFCQZDOKGCCOTM-UHFFFAOYSA-N
MW318.72 g/mol
LogP0.79
Rot. Bonds2

About 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168716309) has the molecular formula C10H8ClFN4O3S and a molecular weight of 318.72 g/mol. Its IUPAC name is 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168716309
Molecular FormulaC10H8ClFN4O3S
Molecular Weight318.72 g/mol
Exact Mass318.00
IUPAC Name1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1nc2ccc(Cl)cn2n1
InChIInChI=1S/C10H8ClFN4O3S/c11-6-1-2-8-13-10(14-16(8)4-6)15-5-7(3-9(15)17)20(12,18)19/h1-2,4,7H,3,5H2
InChIKeyBFCQZDOKGCCOTM-UHFFFAOYSA-N
XLogP0.79
TPSA84.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.72
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride with MolForge

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Related Compounds

4-(chloromethyl)-1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-2-one
CID 168509714
1-(6-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716070
1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715950
1-(3,4-dichloro-2-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715214
1-(2-bromo-6-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715135
1-(3-amino-6-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715376
1-(6-amino-2,3-difluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715246
1-(5-methyl-1H-1,2,4-triazol-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714654
1-(3,4-difluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715421
5-oxo-1-(1,2,4-triazin-3-yl)pyrrolidine-3-sulfonyl fluoride
CID 168716296
1-(3-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715941
1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715871

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168716309) is 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1c1nc2ccc(Cl)cn2n1.
What is the InChIKey of 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is BFCQZDOKGCCOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN4O3S/c11-6-1-2-8-13-10(14-16(8)4-6)15-5-7(3-9(15)17)20(12,18)19/h1-2,4,7H,3,5H2.
What are the key properties of 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 318.72 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168716309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).