4-(2-chloro-5-nitropyridine-4-carbonyl)piperazin-2-one

C10H9ClN4O4 — CID 103731995

IUPAC4-(2-chloro-5-nitropyridine-4-carbonyl)piperazin-2-one
SMILESO=C1CN(C(=O)c2cc(Cl)ncc2[N+](=O)[O-])CCN1
InChIInChI=1S/C10H9ClN4O4/c11-8-3-6(7(4-13-8)15(18)19)10(17)14-2-1-12-9(16)5-14/h3-4H,1-2,5H2,(H,12,16)
InChIKeyAZZCXDIPWYUQBR-UHFFFAOYSA-N
MW284.66 g/mol
LogP0.22
Rot. Bonds2

About 4-(2-chloro-5-nitropyridine-4-carbonyl)piperazin-2-one

4-(2-chloro-5-nitropyridine-4-carbonyl)piperazin-2-one (PubChem CID 103731995) has the molecular formula C10H9ClN4O4 and a molecular weight of 284.66 g/mol. Its IUPAC name is 4-(2-chloro-5-nitropyridine-4-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-chloro-5-nitropyridine-4-carbonyl)piperazin-2-one
PubChem CID103731995
Molecular FormulaC10H9ClN4O4
Molecular Weight284.66 g/mol
Exact Mass284.03
IUPAC Name4-(2-chloro-5-nitropyridine-4-carbonyl)piperazin-2-one
SMILESO=C1CN(C(=O)c2cc(Cl)ncc2[N+](=O)[O-])CCN1
InChIInChI=1S/C10H9ClN4O4/c11-8-3-6(7(4-13-8)15(18)19)10(17)14-2-1-12-9(16)5-14/h3-4H,1-2,5H2,(H,12,16)
InChIKeyAZZCXDIPWYUQBR-UHFFFAOYSA-N
XLogP0.22
TPSA105.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.66
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

azocan-1-yl-(2-chloro-5-nitro-4-pyridinyl)methanone
CID 103732324
(2-chloro-5-nitro-4-pyridinyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 113356775
4-(2-amino-5-nitropyridine-3-carbonyl)piperazin-2-one
CID 104585508
(2-chloro-5-nitro-4-pyridinyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 113251152
(2-chloro-5-nitro-4-pyridinyl)-(2,6-dimethylthiomorpholin-4-yl)methanone
CID 103734032
4-(2-chloro-5-fluoropyridine-3-carbonyl)piperazin-2-one
CID 114034156
(2-chloro-5-nitro-4-pyridinyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 103733728
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(2-chloro-5-nitro-4-pyridinyl)methanone
CID 103733605
4-(4-fluoro-3-nitrobenzoyl)piperazin-2-one
CID 43215729
4-(2,4-difluoro-5-nitrobenzoyl)-1,4-diazepan-2-one
CID 65361597
1-(5-hydroxy-2-nitrobenzoyl)-1,4-diazepan-5-one
CID 102741784
4-(3-methoxy-4-nitrobenzoyl)piperazin-2-one
CID 115602215

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-nitropyridine-4-carbonyl)piperazin-2-one?
The IUPAC name of 4-(2-chloro-5-nitropyridine-4-carbonyl)piperazin-2-one (CID 103731995) is 4-(2-chloro-5-nitropyridine-4-carbonyl)piperazin-2-one.
What is the SMILES notation for 4-(2-chloro-5-nitropyridine-4-carbonyl)piperazin-2-one?
The canonical SMILES for 4-(2-chloro-5-nitropyridine-4-carbonyl)piperazin-2-one is O=C1CN(C(=O)c2cc(Cl)ncc2[N+](=O)[O-])CCN1.
What is the InChIKey of 4-(2-chloro-5-nitropyridine-4-carbonyl)piperazin-2-one?
The InChIKey is AZZCXDIPWYUQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O4/c11-8-3-6(7(4-13-8)15(18)19)10(17)14-2-1-12-9(16)5-14/h3-4H,1-2,5H2,(H,12,16).
What are the key properties of 4-(2-chloro-5-nitropyridine-4-carbonyl)piperazin-2-one?
4-(2-chloro-5-nitropyridine-4-carbonyl)piperazin-2-one has a molecular weight of 284.66 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-nitropyridine-4-carbonyl)piperazin-2-one is sourced from PubChem (CID 103731995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).