N-(6-chloro-3-nitro-2-pyridinyl)-3-methoxypropanamide

C9H10ClN3O4 — CID 104820229

IUPACN-(6-chloro-3-nitro-2-pyridinyl)-3-methoxypropanamide
SMILESCOCCC(=O)Nc1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H10ClN3O4/c1-17-5-4-8(14)12-9-6(13(15)16)2-3-7(10)11-9/h2-3H,4-5H2,1H3,(H,11,12,14)
InChIKeyXAZUVWNFOQBQOG-UHFFFAOYSA-N
MW259.65 g/mol
LogP1.62
Rot. Bonds5

About N-(6-chloro-3-nitro-2-pyridinyl)-3-methoxypropanamide

N-(6-chloro-3-nitro-2-pyridinyl)-3-methoxypropanamide (PubChem CID 104820229) has the molecular formula C9H10ClN3O4 and a molecular weight of 259.65 g/mol. Its IUPAC name is N-(6-chloro-3-nitro-2-pyridinyl)-3-methoxypropanamide.

Molecular Properties

Compound NameN-(6-chloro-3-nitro-2-pyridinyl)-3-methoxypropanamide
PubChem CID104820229
Molecular FormulaC9H10ClN3O4
Molecular Weight259.65 g/mol
Exact Mass259.04
IUPAC NameN-(6-chloro-3-nitro-2-pyridinyl)-3-methoxypropanamide
SMILESCOCCC(=O)Nc1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H10ClN3O4/c1-17-5-4-8(14)12-9-6(13(15)16)2-3-7(10)11-9/h2-3H,4-5H2,1H3,(H,11,12,14)
InChIKeyXAZUVWNFOQBQOG-UHFFFAOYSA-N
XLogP1.62
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.65
LogP ≤ 51.62
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

N-(6-chloro-3-nitro-2-pyridinyl)-3-propoxypropanamide
CID 104820473
N-(6-chloro-3-nitro-2-pyridinyl)-4-ethoxybutanamide
CID 104820471
N-(6-chloro-3-nitro-2-pyridinyl)-3,3,3-trifluoropropanamide
CID 113456785
6-chloro-N-(3-methoxypropyl)-3-nitropyridin-2-amine
CID 43153390
N-(6-chloro-3-nitro-2-pyridinyl)-2-(2-hydroxyphenyl)acetamide
CID 104820323
N-(6-chloro-3-nitro-2-pyridinyl)-3,5,5-trimethylhexanamide
CID 104820352
methyl 6-chloro-3-nitropyridine-2-carboxylate
CID 122129855
N-(6-chloro-3-nitro-2-pyridinyl)-3,5-dimethylbenzamide
CID 115576070
N-(6-chloro-3-nitro-2-pyridinyl)-4-hydroxybenzamide
CID 104820312
N-(6-chloro-3-nitro-2-pyridinyl)but-2-ynamide
CID 107996143
3-[(6-chloro-3-nitro-2-pyridinyl)amino]-4-methoxybutan-1-ol
CID 106162464
methyl 2-[(6-chloro-3-nitro-2-pyridinyl)amino]butanoate
CID 114284015

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-nitro-2-pyridinyl)-3-methoxypropanamide?
The IUPAC name of N-(6-chloro-3-nitro-2-pyridinyl)-3-methoxypropanamide (CID 104820229) is N-(6-chloro-3-nitro-2-pyridinyl)-3-methoxypropanamide.
What is the SMILES notation for N-(6-chloro-3-nitro-2-pyridinyl)-3-methoxypropanamide?
The canonical SMILES for N-(6-chloro-3-nitro-2-pyridinyl)-3-methoxypropanamide is COCCC(=O)Nc1nc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of N-(6-chloro-3-nitro-2-pyridinyl)-3-methoxypropanamide?
The InChIKey is XAZUVWNFOQBQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O4/c1-17-5-4-8(14)12-9-6(13(15)16)2-3-7(10)11-9/h2-3H,4-5H2,1H3,(H,11,12,14).
What are the key properties of N-(6-chloro-3-nitro-2-pyridinyl)-3-methoxypropanamide?
N-(6-chloro-3-nitro-2-pyridinyl)-3-methoxypropanamide has a molecular weight of 259.65 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-nitro-2-pyridinyl)-3-methoxypropanamide is sourced from PubChem (CID 104820229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).