2-chloro-N-methyl-3-nitro-N-(oxolan-3-yl)pyridine-4-carboxamide

C11H12ClN3O4 — CID 79208597

IUPAC2-chloro-N-methyl-3-nitro-N-(oxolan-3-yl)pyridine-4-carboxamide
SMILESCN(C(=O)c1ccnc(Cl)c1[N+](=O)[O-])C1CCOC1
InChIInChI=1S/C11H12ClN3O4/c1-14(7-3-5-19-6-7)11(16)8-2-4-13-10(12)9(8)15(17)18/h2,4,7H,3,5-6H2,1H3
InChIKeyQQJBFSBAVLLMDO-UHFFFAOYSA-N
MW285.69 g/mol
LogP1.50
Rot. Bonds3

About 2-chloro-N-methyl-3-nitro-N-(oxolan-3-yl)pyridine-4-carboxamide

2-chloro-N-methyl-3-nitro-N-(oxolan-3-yl)pyridine-4-carboxamide (PubChem CID 79208597) has the molecular formula C11H12ClN3O4 and a molecular weight of 285.69 g/mol. Its IUPAC name is 2-chloro-N-methyl-3-nitro-N-(oxolan-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-methyl-3-nitro-N-(oxolan-3-yl)pyridine-4-carboxamide
PubChem CID79208597
Molecular FormulaC11H12ClN3O4
Molecular Weight285.69 g/mol
Exact Mass285.05
IUPAC Name2-chloro-N-methyl-3-nitro-N-(oxolan-3-yl)pyridine-4-carboxamide
SMILESCN(C(=O)c1ccnc(Cl)c1[N+](=O)[O-])C1CCOC1
InChIInChI=1S/C11H12ClN3O4/c1-14(7-3-5-19-6-7)11(16)8-2-4-13-10(12)9(8)15(17)18/h2,4,7H,3,5-6H2,1H3
InChIKeyQQJBFSBAVLLMDO-UHFFFAOYSA-N
XLogP1.50
TPSA85.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.69
LogP ≤ 51.50
H-Bond Donors ≤ 50
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-chloro-N-cycloheptyl-N-methyl-3-nitropyridine-4-carboxamide
CID 64856669
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-3-nitropyridine-4-carboxamide
CID 64865935
2-chloro-N-ethyl-3-nitro-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide
CID 64868737
2-hydroxy-N-methyl-3-nitro-N-[(3S)-oxolan-3-yl]benzamide
CID 99716959
4,5-difluoro-N-methyl-2-nitro-N-(oxolan-3-yl)benzamide
CID 78997229
5-amino-N-methyl-2-nitro-N-(oxolan-3-yl)benzamide
CID 82743903
2-chloro-N-methyl-3-nitro-N-pyridin-4-ylpyridine-4-carboxamide
CID 106934906
3-chloro-N-cyclopentyl-N-methyl-2-nitrobenzamide
CID 79831168
2-chloro-N-(2-fluorophenyl)-N-methyl-3-nitropyridine-4-carboxamide
CID 64857632
5-chloro-N-methyl-2-nitro-N-(oxan-4-yl)benzamide
CID 43611011
2-chloro-N',N'-dimethyl-3-nitropyridine-4-carbohydrazide
CID 83014753
2-[methyl(oxolan-3-yl)carbamoyl]pyridine-3-carboxylic acid
CID 82733799

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-3-nitro-N-(oxolan-3-yl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-methyl-3-nitro-N-(oxolan-3-yl)pyridine-4-carboxamide (CID 79208597) is 2-chloro-N-methyl-3-nitro-N-(oxolan-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-methyl-3-nitro-N-(oxolan-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-methyl-3-nitro-N-(oxolan-3-yl)pyridine-4-carboxamide is CN(C(=O)c1ccnc(Cl)c1[N+](=O)[O-])C1CCOC1.
What is the InChIKey of 2-chloro-N-methyl-3-nitro-N-(oxolan-3-yl)pyridine-4-carboxamide?
The InChIKey is QQJBFSBAVLLMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O4/c1-14(7-3-5-19-6-7)11(16)8-2-4-13-10(12)9(8)15(17)18/h2,4,7H,3,5-6H2,1H3.
What are the key properties of 2-chloro-N-methyl-3-nitro-N-(oxolan-3-yl)pyridine-4-carboxamide?
2-chloro-N-methyl-3-nitro-N-(oxolan-3-yl)pyridine-4-carboxamide has a molecular weight of 285.69 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-3-nitro-N-(oxolan-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 79208597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).