N-(6-chloro-3-nitro-2-pyridinyl)-2-(oxolan-2-yl)acetamide

C11H12ClN3O4 — CID 113456796

IUPACN-(6-chloro-3-nitro-2-pyridinyl)-2-(oxolan-2-yl)acetamide
SMILESO=C(CC1CCCO1)Nc1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H12ClN3O4/c12-9-4-3-8(15(17)18)11(13-9)14-10(16)6-7-2-1-5-19-7/h3-4,7H,1-2,5-6H2,(H,13,14,16)
InChIKeyOPOKFTJKGOERQP-UHFFFAOYSA-N
MW285.69 g/mol
LogP2.15
Rot. Bonds4

About N-(6-chloro-3-nitro-2-pyridinyl)-2-(oxolan-2-yl)acetamide

N-(6-chloro-3-nitro-2-pyridinyl)-2-(oxolan-2-yl)acetamide (PubChem CID 113456796) has the molecular formula C11H12ClN3O4 and a molecular weight of 285.69 g/mol. Its IUPAC name is N-(6-chloro-3-nitro-2-pyridinyl)-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-(6-chloro-3-nitro-2-pyridinyl)-2-(oxolan-2-yl)acetamide
PubChem CID113456796
Molecular FormulaC11H12ClN3O4
Molecular Weight285.69 g/mol
Exact Mass285.05
IUPAC NameN-(6-chloro-3-nitro-2-pyridinyl)-2-(oxolan-2-yl)acetamide
SMILESO=C(CC1CCCO1)Nc1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H12ClN3O4/c12-9-4-3-8(15(17)18)11(13-9)14-10(16)6-7-2-1-5-19-7/h3-4,7H,1-2,5-6H2,(H,13,14,16)
InChIKeyOPOKFTJKGOERQP-UHFFFAOYSA-N
XLogP2.15
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.69
LogP ≤ 52.15
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

6-chloro-3-nitro-N-[[(2S)-oxetan-2-yl]methyl]pyridin-2-amine
CID 166095090
6-chloro-N-methyl-3-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 61435734
N-(6-chloro-3-nitro-2-pyridinyl)-3,3,3-trifluoropropanamide
CID 113456785
N-(6-chloropyrazin-2-yl)-2-(oxolan-2-yl)acetamide
CID 104819962
6-chloro-N-(1,3-dioxolan-2-ylmethyl)-3-nitropyridin-2-amine;2,6-dichloro-3-nitropyridine
CID 158566145
N-(4-hydroxy-3-nitrophenyl)-2-[(2R)-oxan-2-yl]acetamide
CID 99718437
N-(6-chloro-3-nitro-2-pyridinyl)-2-(2-hydroxyphenyl)acetamide
CID 104820323
N-(6-chloro-3-nitro-2-pyridinyl)-3-methoxypropanamide
CID 104820229
N-(6-chloro-3-nitro-2-pyridinyl)-4-ethoxybutanamide
CID 104820471
N-(2,6-dichlorophenyl)-2-(oxolan-2-yl)acetamide
CID 110696672
N-(6-chloro-3-nitro-2-pyridinyl)-4-hydroxybenzamide
CID 104820312
N-(6-chloro-3-nitro-2-pyridinyl)-3-propoxypropanamide
CID 104820473

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-nitro-2-pyridinyl)-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-(6-chloro-3-nitro-2-pyridinyl)-2-(oxolan-2-yl)acetamide (CID 113456796) is N-(6-chloro-3-nitro-2-pyridinyl)-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-(6-chloro-3-nitro-2-pyridinyl)-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-(6-chloro-3-nitro-2-pyridinyl)-2-(oxolan-2-yl)acetamide is O=C(CC1CCCO1)Nc1nc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of N-(6-chloro-3-nitro-2-pyridinyl)-2-(oxolan-2-yl)acetamide?
The InChIKey is OPOKFTJKGOERQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O4/c12-9-4-3-8(15(17)18)11(13-9)14-10(16)6-7-2-1-5-19-7/h3-4,7H,1-2,5-6H2,(H,13,14,16).
What are the key properties of N-(6-chloro-3-nitro-2-pyridinyl)-2-(oxolan-2-yl)acetamide?
N-(6-chloro-3-nitro-2-pyridinyl)-2-(oxolan-2-yl)acetamide has a molecular weight of 285.69 g/mol, XLogP of 2.15, 4 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)-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 113456796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).