4-(5-chloro-6-fluoropyridine-3-carbonyl)-1-cyclopropylpiperazin-2-one

C13H13ClFN3O2 — CID 136561683

IUPAC4-(5-chloro-6-fluoropyridine-3-carbonyl)-1-cyclopropylpiperazin-2-one
SMILESO=C(c1cnc(F)c(Cl)c1)N1CCN(C2CC2)C(=O)C1
InChIInChI=1S/C13H13ClFN3O2/c14-10-5-8(6-16-12(10)15)13(20)17-3-4-18(9-1-2-9)11(19)7-17/h5-6,9H,1-4,7H2
InChIKeyVOQMWMALDKGQGT-UHFFFAOYSA-N
MW297.72 g/mol
LogP1.32
Rot. Bonds2

About 4-(5-chloro-6-fluoropyridine-3-carbonyl)-1-cyclopropylpiperazin-2-one

4-(5-chloro-6-fluoropyridine-3-carbonyl)-1-cyclopropylpiperazin-2-one (PubChem CID 136561683) has the molecular formula C13H13ClFN3O2 and a molecular weight of 297.72 g/mol. Its IUPAC name is 4-(5-chloro-6-fluoropyridine-3-carbonyl)-1-cyclopropylpiperazin-2-one.

Molecular Properties

Compound Name4-(5-chloro-6-fluoropyridine-3-carbonyl)-1-cyclopropylpiperazin-2-one
PubChem CID136561683
Molecular FormulaC13H13ClFN3O2
Molecular Weight297.72 g/mol
Exact Mass297.07
IUPAC Name4-(5-chloro-6-fluoropyridine-3-carbonyl)-1-cyclopropylpiperazin-2-one
SMILESO=C(c1cnc(F)c(Cl)c1)N1CCN(C2CC2)C(=O)C1
InChIInChI=1S/C13H13ClFN3O2/c14-10-5-8(6-16-12(10)15)13(20)17-3-4-18(9-1-2-9)11(19)7-17/h5-6,9H,1-4,7H2
InChIKeyVOQMWMALDKGQGT-UHFFFAOYSA-N
XLogP1.32
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.72
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-6-fluoropyridine-3-carbonyl)-1-cyclopropylpiperazin-2-one?
The IUPAC name of 4-(5-chloro-6-fluoropyridine-3-carbonyl)-1-cyclopropylpiperazin-2-one (CID 136561683) is 4-(5-chloro-6-fluoropyridine-3-carbonyl)-1-cyclopropylpiperazin-2-one.
What is the SMILES notation for 4-(5-chloro-6-fluoropyridine-3-carbonyl)-1-cyclopropylpiperazin-2-one?
The canonical SMILES for 4-(5-chloro-6-fluoropyridine-3-carbonyl)-1-cyclopropylpiperazin-2-one is O=C(c1cnc(F)c(Cl)c1)N1CCN(C2CC2)C(=O)C1.
What is the InChIKey of 4-(5-chloro-6-fluoropyridine-3-carbonyl)-1-cyclopropylpiperazin-2-one?
The InChIKey is VOQMWMALDKGQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O2/c14-10-5-8(6-16-12(10)15)13(20)17-3-4-18(9-1-2-9)11(19)7-17/h5-6,9H,1-4,7H2.
What are the key properties of 4-(5-chloro-6-fluoropyridine-3-carbonyl)-1-cyclopropylpiperazin-2-one?
4-(5-chloro-6-fluoropyridine-3-carbonyl)-1-cyclopropylpiperazin-2-one has a molecular weight of 297.72 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-6-fluoropyridine-3-carbonyl)-1-cyclopropylpiperazin-2-one is sourced from PubChem (CID 136561683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).