(2,5-dioxopyrrolidin-1-yl) 3-fluoropyridine-2-carboxylate

C10H7FN2O4 — CID 154824707

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-fluoropyridine-2-carboxylate
SMILESO=C(ON1C(=O)CCC1=O)c1ncccc1F
InChIInChI=1S/C10H7FN2O4/c11-6-2-1-5-12-9(6)10(16)17-13-7(14)3-4-8(13)15/h1-2,5H,3-4H2
InChIKeyNTFIFNMHEHTNIY-UHFFFAOYSA-N
MW238.17 g/mol
LogP0.44
Rot. Bonds2

About (2,5-dioxopyrrolidin-1-yl) 3-fluoropyridine-2-carboxylate

(2,5-dioxopyrrolidin-1-yl) 3-fluoropyridine-2-carboxylate (PubChem CID 154824707) has the molecular formula C10H7FN2O4 and a molecular weight of 238.17 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-fluoropyridine-2-carboxylate
PubChem CID154824707
Molecular FormulaC10H7FN2O4
Molecular Weight238.17 g/mol
Exact Mass238.04
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-fluoropyridine-2-carboxylate
SMILESO=C(ON1C(=O)CCC1=O)c1ncccc1F
InChIInChI=1S/C10H7FN2O4/c11-6-2-1-5-12-9(6)10(16)17-13-7(14)3-4-8(13)15/h1-2,5H,3-4H2
InChIKeyNTFIFNMHEHTNIY-UHFFFAOYSA-N
XLogP0.44
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.17
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 3-bromopyridine-2-carboxylate
CID 172647201
CID 140752568
CID 140752568
(2,5-dioxopyrrolidin-1-yl) (2,3,4,5,6-13C5)pyridine-3-carboxylate
CID 71308877
ethyl 3-fluoropyridine-2-carboxylate
CID 46311381
(2,5-dioxopyrrolidin-1-yl) N-(2-fluorophenyl)carbamate
CID 71383197
(2,5-dioxopyrrolidin-1-yl) 4-chloropyridine-2-carboxylate
CID 154824703
(2,5-dioxopyrrolidin-1-yl) 2-[(pyridin-2-yldisulfanyl)methyl]benzoate
CID 87286460
(2,5-dioxopyrrolidin-1-yl) N-quinolin-7-ylcarbamate
CID 121232305
(2,5-dioxopyrrolidin-1-yl) 4-(6-pyridin-2-yl-3-pyridinyl)benzoate
CID 102286988
3,4-dihydro-1H-isoquinolin-2-yl-(3-fluoro-2-pyridinyl)methanone
CID 110474832
3-fluoro-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyridine-2-carboxamide
CID 154865863
(2,5-dioxopyrrolidin-1-yl) 4-(124I)iodobenzoate
CID 11110628

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-fluoropyridine-2-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-fluoropyridine-2-carboxylate (CID 154824707) is (2,5-dioxopyrrolidin-1-yl) 3-fluoropyridine-2-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-fluoropyridine-2-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-fluoropyridine-2-carboxylate is O=C(ON1C(=O)CCC1=O)c1ncccc1F.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-fluoropyridine-2-carboxylate?
The InChIKey is NTFIFNMHEHTNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O4/c11-6-2-1-5-12-9(6)10(16)17-13-7(14)3-4-8(13)15/h1-2,5H,3-4H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-fluoropyridine-2-carboxylate?
(2,5-dioxopyrrolidin-1-yl) 3-fluoropyridine-2-carboxylate has a molecular weight of 238.17 g/mol, XLogP of 0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 3-fluoropyridine-2-carboxylate is sourced from PubChem (CID 154824707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).