2-[(2-chloro-5-nitro-4-pyridinyl)amino]-N,N-dimethylacetamide

C9H11ClN4O3 — CID 141369480

IUPAC2-[(2-chloro-5-nitro-4-pyridinyl)amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1cc(Cl)ncc1[N+](=O)[O-]
InChIInChI=1S/C9H11ClN4O3/c1-13(2)9(15)5-11-6-3-8(10)12-4-7(6)14(16)17/h3-4H,5H2,1-2H3,(H,11,12)
InChIKeyUDLWAAWEYZSAKU-UHFFFAOYSA-N
MW258.67 g/mol
LogP1.14
Rot. Bonds4

About 2-[(2-chloro-5-nitro-4-pyridinyl)amino]-N,N-dimethylacetamide

2-[(2-chloro-5-nitro-4-pyridinyl)amino]-N,N-dimethylacetamide (PubChem CID 141369480) has the molecular formula C9H11ClN4O3 and a molecular weight of 258.67 g/mol. Its IUPAC name is 2-[(2-chloro-5-nitro-4-pyridinyl)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(2-chloro-5-nitro-4-pyridinyl)amino]-N,N-dimethylacetamide
PubChem CID141369480
Molecular FormulaC9H11ClN4O3
Molecular Weight258.67 g/mol
Exact Mass258.05
IUPAC Name2-[(2-chloro-5-nitro-4-pyridinyl)amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1cc(Cl)ncc1[N+](=O)[O-]
InChIInChI=1S/C9H11ClN4O3/c1-13(2)9(15)5-11-6-3-8(10)12-4-7(6)14(16)17/h3-4H,5H2,1-2H3,(H,11,12)
InChIKeyUDLWAAWEYZSAKU-UHFFFAOYSA-N
XLogP1.14
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.67
LogP ≤ 51.14
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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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-nitro-4-pyridinyl)amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(2-chloro-5-nitro-4-pyridinyl)amino]-N,N-dimethylacetamide (CID 141369480) is 2-[(2-chloro-5-nitro-4-pyridinyl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(2-chloro-5-nitro-4-pyridinyl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(2-chloro-5-nitro-4-pyridinyl)amino]-N,N-dimethylacetamide is CN(C)C(=O)CNc1cc(Cl)ncc1[N+](=O)[O-].
What is the InChIKey of 2-[(2-chloro-5-nitro-4-pyridinyl)amino]-N,N-dimethylacetamide?
The InChIKey is UDLWAAWEYZSAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O3/c1-13(2)9(15)5-11-6-3-8(10)12-4-7(6)14(16)17/h3-4H,5H2,1-2H3,(H,11,12).
What are the key properties of 2-[(2-chloro-5-nitro-4-pyridinyl)amino]-N,N-dimethylacetamide?
2-[(2-chloro-5-nitro-4-pyridinyl)amino]-N,N-dimethylacetamide has a molecular weight of 258.67 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-nitro-4-pyridinyl)amino]-N,N-dimethylacetamide is sourced from PubChem (CID 141369480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).