1-[(6-chloro-3-pyridinyl)methyl]piperazine-2,3-dione

C10H10ClN3O2 — CID 71441372

IUPAC1-[(6-chloro-3-pyridinyl)methyl]piperazine-2,3-dione
SMILESO=C1NCCN(Cc2ccc(Cl)nc2)C1=O
InChIInChI=1S/C10H10ClN3O2/c11-8-2-1-7(5-13-8)6-14-4-3-12-9(15)10(14)16/h1-2,5H,3-4,6H2,(H,12,15)
InChIKeyHVZQSNUGEHHPNR-UHFFFAOYSA-N
MW239.66 g/mol
LogP0.19
Rot. Bonds2

About 1-[(6-chloro-3-pyridinyl)methyl]piperazine-2,3-dione

1-[(6-chloro-3-pyridinyl)methyl]piperazine-2,3-dione (PubChem CID 71441372) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is 1-[(6-chloro-3-pyridinyl)methyl]piperazine-2,3-dione.

Molecular Properties

Compound Name1-[(6-chloro-3-pyridinyl)methyl]piperazine-2,3-dione
PubChem CID71441372
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Name1-[(6-chloro-3-pyridinyl)methyl]piperazine-2,3-dione
SMILESO=C1NCCN(Cc2ccc(Cl)nc2)C1=O
InChIInChI=1S/C10H10ClN3O2/c11-8-2-1-7(5-13-8)6-14-4-3-12-9(15)10(14)16/h1-2,5H,3-4,6H2,(H,12,15)
InChIKeyHVZQSNUGEHHPNR-UHFFFAOYSA-N
XLogP0.19
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 15390532
N-[(6-chloropyridin-3-yl)methyl]-N-methylacetamide
CID 59843549
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CID 1228702
(2S)-2-amino-1-piperidin-1-yl-4-(pyridin-4-ylmethylamino)butan-1-one
CID 11346439
Ethanediamide, N,N'-bis(4-pyridinylmethyl)-
CID 3121386
3-((6-Chloropyridin-3-yl)methyl)imidazolidine-2,4-dione
CID 20114087
NTN33893-4-keto-urea
CID 122226815
1-{4-[(6-Chloro-3-pyridinyl)methyl]piperazino}-1-ethanone
CID 1473079
2-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 2971027
2-Chloro-5-(piperidin-1-ylmethyl)pyridine
CID 1473525
N-((6-chloro-3-pyridinyl)methyl)-1,2-ethane-diamine
CID 10997737
N-(pyridin-3-ylmethyl)ethanediamide
CID 3145117

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-3-pyridinyl)methyl]piperazine-2,3-dione?
The IUPAC name of 1-[(6-chloro-3-pyridinyl)methyl]piperazine-2,3-dione (CID 71441372) is 1-[(6-chloro-3-pyridinyl)methyl]piperazine-2,3-dione.
What is the SMILES notation for 1-[(6-chloro-3-pyridinyl)methyl]piperazine-2,3-dione?
The canonical SMILES for 1-[(6-chloro-3-pyridinyl)methyl]piperazine-2,3-dione is O=C1NCCN(Cc2ccc(Cl)nc2)C1=O.
What is the InChIKey of 1-[(6-chloro-3-pyridinyl)methyl]piperazine-2,3-dione?
The InChIKey is HVZQSNUGEHHPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2/c11-8-2-1-7(5-13-8)6-14-4-3-12-9(15)10(14)16/h1-2,5H,3-4,6H2,(H,12,15).
What are the key properties of 1-[(6-chloro-3-pyridinyl)methyl]piperazine-2,3-dione?
1-[(6-chloro-3-pyridinyl)methyl]piperazine-2,3-dione has a molecular weight of 239.66 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-3-pyridinyl)methyl]piperazine-2,3-dione is sourced from PubChem (CID 71441372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).