3-[(2-amino-6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one

C10H12ClN3O — CID 177188747

IUPAC3-[(2-amino-6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one
SMILESNc1nc(Cl)ccc1CC1CCNC1=O
InChIInChI=1S/C10H12ClN3O/c11-8-2-1-6(9(12)14-8)5-7-3-4-13-10(7)15/h1-2,7H,3-5H2,(H2,12,14)(H,13,15)
InChIKeyOSWXJLOCEKAILG-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.00
Rot. Bonds2

About 3-[(2-amino-6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one

3-[(2-amino-6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one (PubChem CID 177188747) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is 3-[(2-amino-6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[(2-amino-6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one
PubChem CID177188747
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name3-[(2-amino-6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one
SMILESNc1nc(Cl)ccc1CC1CCNC1=O
InChIInChI=1S/C10H12ClN3O/c11-8-2-1-6(9(12)14-8)5-7-3-4-13-10(7)15/h1-2,7H,3-5H2,(H2,12,14)(H,13,15)
InChIKeyOSWXJLOCEKAILG-UHFFFAOYSA-N
XLogP1.00
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-chloro-2-fluorophenyl)methyl]pyrrolidin-2-one
CID 103052236
3-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-2-one
CID 102622038
tert-butyl 4-[[6-chloro-3-[(2-oxopyrrolidin-3-yl)methyl]-2-pyridinyl]oxy]piperidine-1-carboxylate
CID 177188676
3-[(5-chloropyrazin-2-yl)methyl]piperidin-2-one
CID 103062148
3-[(2,6-dimethylphenyl)methyl]pyrrolidin-2-one
CID 70966416
3-(aminomethyl)pyrrolidin-2-one;hydrochloride
CID 77340123
3-[(4-chlorophenyl)methyl]pyrrolidin-2-one;N-propan-2-ylpropan-2-amine
CID 160505997
3-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-one
CID 104679282
6-chloro-3-propylpyridin-2-amine
CID 71433192
(3R)-3-[[2,6-dichloro-4-[4-(trifluoromethyl)phenyl]phenyl]methyl]pyrrolidin-2-one
CID 141331270
3-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-one
CID 104679407
3-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-2-one
CID 141430302

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one?
The IUPAC name of 3-[(2-amino-6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one (CID 177188747) is 3-[(2-amino-6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 3-[(2-amino-6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 3-[(2-amino-6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one is Nc1nc(Cl)ccc1CC1CCNC1=O.
What is the InChIKey of 3-[(2-amino-6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one?
The InChIKey is OSWXJLOCEKAILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O/c11-8-2-1-6(9(12)14-8)5-7-3-4-13-10(7)15/h1-2,7H,3-5H2,(H2,12,14)(H,13,15).
What are the key properties of 3-[(2-amino-6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one?
3-[(2-amino-6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one has a molecular weight of 225.68 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 177188747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).