2-[(6-chloro-3-nitro-2-pyridinyl)-ethylamino]acetamide

C9H11ClN4O3 — CID 103103661

IUPAC2-[(6-chloro-3-nitro-2-pyridinyl)-ethylamino]acetamide
SMILESCCN(CC(N)=O)c1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H11ClN4O3/c1-2-13(5-8(11)15)9-6(14(16)17)3-4-7(10)12-9/h3-4H,2,5H2,1H3,(H2,11,15)
InChIKeyMIPITUMXGTVYOF-UHFFFAOYSA-N
MW258.66 g/mol
LogP0.95
Rot. Bonds5

About 2-[(6-chloro-3-nitro-2-pyridinyl)-ethylamino]acetamide

2-[(6-chloro-3-nitro-2-pyridinyl)-ethylamino]acetamide (PubChem CID 103103661) has the molecular formula C9H11ClN4O3 and a molecular weight of 258.66 g/mol. Its IUPAC name is 2-[(6-chloro-3-nitro-2-pyridinyl)-ethylamino]acetamide.

Molecular Properties

Compound Name2-[(6-chloro-3-nitro-2-pyridinyl)-ethylamino]acetamide
PubChem CID103103661
Molecular FormulaC9H11ClN4O3
Molecular Weight258.66 g/mol
Exact Mass258.05
IUPAC Name2-[(6-chloro-3-nitro-2-pyridinyl)-ethylamino]acetamide
SMILESCCN(CC(N)=O)c1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H11ClN4O3/c1-2-13(5-8(11)15)9-6(14(16)17)3-4-7(10)12-9/h3-4H,2,5H2,1H3,(H2,11,15)
InChIKeyMIPITUMXGTVYOF-UHFFFAOYSA-N
XLogP0.95
TPSA102.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.66
LogP ≤ 50.95
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

2-[(2-amino-2-oxoethyl)-ethylamino]-6-chloropyridine-3-carboxylic acid
CID 103102785
3-[(6-chloro-3-nitro-2-pyridinyl)-ethylamino]-2-methylpropanenitrile
CID 54988188
carboxy-(6-chloro-3-nitro-2-pyridinyl)carbamic acid
CID 87550888
2-[(6-amino-3-nitro-2-pyridinyl)-ethylamino]ethanol
CID 80790273
2-[butyl-[6-(ethylamino)-3-nitro-2-pyridinyl]amino]acetamide
CID 80788637
N-butyl-6-chloro-N-methyl-3-nitropyridin-2-amine
CID 43152647
1-[(6-chloro-3-nitro-2-pyridinyl)-methylamino]propan-2-ol
CID 62337373
2-[(4,6-dichloro-1,3,5-triazin-2-yl)-ethylamino]acetamide
CID 103103709
2-[(5-amino-6-chloropyrimidin-4-yl)-ethylamino]acetamide
CID 103101135
2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]-ethylamino]acetamide
CID 103104349
(E)-3-[4-[(2-amino-2-oxoethyl)-ethylamino]-3-nitrophenyl]prop-2-enoic acid
CID 103103312
2-[(6-amino-3-nitro-2-pyridinyl)-cyclopentylamino]acetamide
CID 80806821

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3-nitro-2-pyridinyl)-ethylamino]acetamide?
The IUPAC name of 2-[(6-chloro-3-nitro-2-pyridinyl)-ethylamino]acetamide (CID 103103661) is 2-[(6-chloro-3-nitro-2-pyridinyl)-ethylamino]acetamide.
What is the SMILES notation for 2-[(6-chloro-3-nitro-2-pyridinyl)-ethylamino]acetamide?
The canonical SMILES for 2-[(6-chloro-3-nitro-2-pyridinyl)-ethylamino]acetamide is CCN(CC(N)=O)c1nc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 2-[(6-chloro-3-nitro-2-pyridinyl)-ethylamino]acetamide?
The InChIKey is MIPITUMXGTVYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O3/c1-2-13(5-8(11)15)9-6(14(16)17)3-4-7(10)12-9/h3-4H,2,5H2,1H3,(H2,11,15).
What are the key properties of 2-[(6-chloro-3-nitro-2-pyridinyl)-ethylamino]acetamide?
2-[(6-chloro-3-nitro-2-pyridinyl)-ethylamino]acetamide has a molecular weight of 258.66 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-3-nitro-2-pyridinyl)-ethylamino]acetamide is sourced from PubChem (CID 103103661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).