4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrimidine-5-carboxylic acid

C10H10FN3O5S — CID 168677386

IUPAC4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cncnc1N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C10H10FN3O5S/c11-20(18,19)4-6-1-8(15)14(3-6)9-7(10(16)17)2-12-5-13-9/h2,5-6H,1,3-4H2,(H,16,17)
InChIKeyVZFNCJHPRCBBNC-UHFFFAOYSA-N
MW303.27 g/mol
LogP-0.17
Rot. Bonds4

About 4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrimidine-5-carboxylic acid

4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrimidine-5-carboxylic acid (PubChem CID 168677386) has the molecular formula C10H10FN3O5S and a molecular weight of 303.27 g/mol. Its IUPAC name is 4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrimidine-5-carboxylic acid
PubChem CID168677386
Molecular FormulaC10H10FN3O5S
Molecular Weight303.27 g/mol
Exact Mass303.03
IUPAC Name4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cncnc1N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C10H10FN3O5S/c11-20(18,19)4-6-1-8(15)14(3-6)9-7(10(16)17)2-12-5-13-9/h2,5-6H,1,3-4H2,(H,16,17)
InChIKeyVZFNCJHPRCBBNC-UHFFFAOYSA-N
XLogP-0.17
TPSA117.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylic acid
CID 168677341
4-(4-acetylsulfanyl-2-oxopyrrolidin-1-yl)pyrimidine-5-carboxylic acid
CID 168706954
[1-(3,5-dibromo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677358
[1-(3-iodo-2H-pyrazolo[3,4-d]pyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677457
[1-(5-chloro-3-fluoro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676808
[1-(3-amino-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677543
[1-(3-bromo-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677367
[1-(3-bromo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677375
4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-2-methoxybenzoic acid
CID 168675646
(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonyl fluoride
CID 168677760
[1-(4,5-diamino-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677754
[1-(6-bromo-1,2,4-triazin-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677351

Frequently Asked Questions

What is the IUPAC name of 4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrimidine-5-carboxylic acid (CID 168677386) is 4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrimidine-5-carboxylic acid is O=C(O)c1cncnc1N1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of 4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrimidine-5-carboxylic acid?
The InChIKey is VZFNCJHPRCBBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O5S/c11-20(18,19)4-6-1-8(15)14(3-6)9-7(10(16)17)2-12-5-13-9/h2,5-6H,1,3-4H2,(H,16,17).
What are the key properties of 4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrimidine-5-carboxylic acid?
4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrimidine-5-carboxylic acid has a molecular weight of 303.27 g/mol, XLogP of -0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 168677386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).