3-(chloroamino)-1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyridin-2-one

C11H15ClFN3O — CID 166023576

IUPAC3-(chloroamino)-1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyridin-2-one
SMILESO=c1c(NCl)cccn1[C@@H]1CCN(CCF)C1
InChIInChI=1S/C11H15ClFN3O/c12-14-10-2-1-5-16(11(10)17)9-3-6-15(8-9)7-4-13/h1-2,5,9,14H,3-4,6-8H2/t9-/m1/s1
InChIKeyPCLBIHPRKODFOR-SECBINFHSA-N
MW259.71 g/mol
LogP1.63
Rot. Bonds4

About 3-(chloroamino)-1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyridin-2-one

3-(chloroamino)-1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyridin-2-one (PubChem CID 166023576) has the molecular formula C11H15ClFN3O and a molecular weight of 259.71 g/mol. Its IUPAC name is 3-(chloroamino)-1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyridin-2-one.

Molecular Properties

Compound Name3-(chloroamino)-1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyridin-2-one
PubChem CID166023576
Molecular FormulaC11H15ClFN3O
Molecular Weight259.71 g/mol
Exact Mass259.09
IUPAC Name3-(chloroamino)-1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyridin-2-one
SMILESO=c1c(NCl)cccn1[C@@H]1CCN(CCF)C1
InChIInChI=1S/C11H15ClFN3O/c12-14-10-2-1-5-16(11(10)17)9-3-6-15(8-9)7-4-13/h1-2,5,9,14H,3-4,6-8H2/t9-/m1/s1
InChIKeyPCLBIHPRKODFOR-SECBINFHSA-N
XLogP1.63
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 66693163
CID 66693163
CID 66693164
CID 66693164
CID 66693165
CID 66693165
CID 137449082
CID 137449082
CID 137449101
CID 137449101
CID 137450306
CID 137450306
CID 137450457
CID 137450457
CID 137450504
CID 137450504
CID 137450698
CID 137450698
CID 137450782
CID 137450782
CID 137457289
CID 137457289
CID 137457374
CID 137457374

Frequently Asked Questions

What is the IUPAC name of 3-(chloroamino)-1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyridin-2-one?
The IUPAC name of 3-(chloroamino)-1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyridin-2-one (CID 166023576) is 3-(chloroamino)-1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyridin-2-one.
What is the SMILES notation for 3-(chloroamino)-1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyridin-2-one?
The canonical SMILES for 3-(chloroamino)-1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyridin-2-one is O=c1c(NCl)cccn1[C@@H]1CCN(CCF)C1.
What is the InChIKey of 3-(chloroamino)-1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyridin-2-one?
The InChIKey is PCLBIHPRKODFOR-SECBINFHSA-N. The full InChI is InChI=1S/C11H15ClFN3O/c12-14-10-2-1-5-16(11(10)17)9-3-6-15(8-9)7-4-13/h1-2,5,9,14H,3-4,6-8H2/t9-/m1/s1.
What are the key properties of 3-(chloroamino)-1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyridin-2-one?
3-(chloroamino)-1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyridin-2-one has a molecular weight of 259.71 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloroamino)-1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyridin-2-one is sourced from PubChem (CID 166023576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).