(2,5-dioxopyrrolidin-1-yl) 4-chloropyridine-2-carboxylate

C10H7ClN2O4 — CID 154824703

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-chloropyridine-2-carboxylate
SMILESO=C(ON1C(=O)CCC1=O)c1cc(Cl)ccn1
InChIInChI=1S/C10H7ClN2O4/c11-6-3-4-12-7(5-6)10(16)17-13-8(14)1-2-9(13)15/h3-5H,1-2H2
InChIKeyBMBLUIIXCRRYHI-UHFFFAOYSA-N
MW254.63 g/mol
LogP0.96
Rot. Bonds2

About (2,5-dioxopyrrolidin-1-yl) 4-chloropyridine-2-carboxylate

(2,5-dioxopyrrolidin-1-yl) 4-chloropyridine-2-carboxylate (PubChem CID 154824703) has the molecular formula C10H7ClN2O4 and a molecular weight of 254.63 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-chloropyridine-2-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-chloropyridine-2-carboxylate
PubChem CID154824703
Molecular FormulaC10H7ClN2O4
Molecular Weight254.63 g/mol
Exact Mass254.01
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-chloropyridine-2-carboxylate
SMILESO=C(ON1C(=O)CCC1=O)c1cc(Cl)ccn1
InChIInChI=1S/C10H7ClN2O4/c11-6-3-4-12-7(5-6)10(16)17-13-8(14)1-2-9(13)15/h3-5H,1-2H2
InChIKeyBMBLUIIXCRRYHI-UHFFFAOYSA-N
XLogP0.96
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.63
LogP ≤ 50.96
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

cyclopropylmethyl 4-chloropyridine-2-carboxylate
CID 63840175
(2,5-dioxopyrrolidin-1-yl) 1-methylimidazole-4-carboxylate
CID 101239643
4-chloropyridine-2-carboxylic acid;dihydrochloride
CID 174449778
(cyclopropylmethylamino) 4-chloropyridine-2-carboxylate
CID 150438541
(2,5-dioxopyrrolidin-1-yl) 3-chloro-5-fluorobenzoate
CID 155923584
cyclohexylmethyl 4-chloropyridine-2-carboxylate
CID 55032091
(2,5-dioxopyrrolidin-1-yl) 3-fluoropyridine-2-carboxylate
CID 154824707
(2,5-dioxopyrrolidin-1-yl) 4-chloro-3-methylbenzoate
CID 71364832
3-phenylpropyl 4-chloropyridine-2-carboxylate
CID 60656407
4-chloro-N-hydroxypyridine-2-carboxamide
CID 83381234
2-(2-methoxyethoxy)ethyl 4-chloropyridine-2-carboxylate
CID 104567564
(2,5-dioxopyrrolidin-1-yl) 5-bromo-6-methylpyridine-2-carboxylate
CID 172647195

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-chloropyridine-2-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-chloropyridine-2-carboxylate (CID 154824703) is (2,5-dioxopyrrolidin-1-yl) 4-chloropyridine-2-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-chloropyridine-2-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-chloropyridine-2-carboxylate is O=C(ON1C(=O)CCC1=O)c1cc(Cl)ccn1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-chloropyridine-2-carboxylate?
The InChIKey is BMBLUIIXCRRYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O4/c11-6-3-4-12-7(5-6)10(16)17-13-8(14)1-2-9(13)15/h3-5H,1-2H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-chloropyridine-2-carboxylate?
(2,5-dioxopyrrolidin-1-yl) 4-chloropyridine-2-carboxylate has a molecular weight of 254.63 g/mol, XLogP of 0.96, 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) 4-chloropyridine-2-carboxylate is sourced from PubChem (CID 154824703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).