5-[(2-methoxy-2-methylpropyl)amino]-2-nitropyridine-4-carboxylic acid

C11H15N3O5 — CID 114194513

IUPAC5-[(2-methoxy-2-methylpropyl)amino]-2-nitropyridine-4-carboxylic acid
SMILESCOC(C)(C)CNc1cnc([N+](=O)[O-])cc1C(=O)O
InChIInChI=1S/C11H15N3O5/c1-11(2,19-3)6-13-8-5-12-9(14(17)18)4-7(8)10(15)16/h4-5,13H,6H2,1-3H3,(H,15,16)
InChIKeyFBYQVRFDXNYTSC-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.52
Rot. Bonds6

About 5-[(2-methoxy-2-methylpropyl)amino]-2-nitropyridine-4-carboxylic acid

5-[(2-methoxy-2-methylpropyl)amino]-2-nitropyridine-4-carboxylic acid (PubChem CID 114194513) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 5-[(2-methoxy-2-methylpropyl)amino]-2-nitropyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methoxy-2-methylpropyl)amino]-2-nitropyridine-4-carboxylic acid
PubChem CID114194513
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name5-[(2-methoxy-2-methylpropyl)amino]-2-nitropyridine-4-carboxylic acid
SMILESCOC(C)(C)CNc1cnc([N+](=O)[O-])cc1C(=O)O
InChIInChI=1S/C11H15N3O5/c1-11(2,19-3)6-13-8-5-12-9(14(17)18)4-7(8)10(15)16/h4-5,13H,6H2,1-3H3,(H,15,16)
InChIKeyFBYQVRFDXNYTSC-UHFFFAOYSA-N
XLogP1.52
TPSA114.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-nitro-5-(3,3,3-trifluoropropylamino)pyridine-4-carboxylic acid
CID 114194485
2-[(2-methoxy-2-methylpropyl)amino]-4-nitrobenzoic acid
CID 113450366
2-nitro-5-[[(E)-pent-3-enyl]amino]pyridine-4-carboxylic acid
CID 114194514
5-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-nitropyridine-4-carboxylic acid
CID 114194558
5-(3-methylsulfinylpropylamino)-2-nitropyridine-4-carboxylic acid
CID 114194524
5-[(2,2-dimethylcyclopropyl)methylamino]-2-nitropyridine-4-carboxylic acid
CID 114194554
2-nitro-5-(2-sulfamoylethylamino)pyridine-4-carboxylic acid
CID 114194432
5-bromo-2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylic acid
CID 104762194
5-amino-2-nitropyridine-4-carboxylic acid
CID 127018665
N-ethyl-2-nitro-5-(propylamino)pyridine-4-carboxamide
CID 114195863
2-bromo-N-(2-methoxy-2-methylpropyl)-4-nitroaniline
CID 115658462
N-(2-methoxy-2-methylpropyl)-4-methyl-5-nitropyridin-2-amine
CID 115669177

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxy-2-methylpropyl)amino]-2-nitropyridine-4-carboxylic acid?
The IUPAC name of 5-[(2-methoxy-2-methylpropyl)amino]-2-nitropyridine-4-carboxylic acid (CID 114194513) is 5-[(2-methoxy-2-methylpropyl)amino]-2-nitropyridine-4-carboxylic acid.
What is the SMILES notation for 5-[(2-methoxy-2-methylpropyl)amino]-2-nitropyridine-4-carboxylic acid?
The canonical SMILES for 5-[(2-methoxy-2-methylpropyl)amino]-2-nitropyridine-4-carboxylic acid is COC(C)(C)CNc1cnc([N+](=O)[O-])cc1C(=O)O.
What is the InChIKey of 5-[(2-methoxy-2-methylpropyl)amino]-2-nitropyridine-4-carboxylic acid?
The InChIKey is FBYQVRFDXNYTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-11(2,19-3)6-13-8-5-12-9(14(17)18)4-7(8)10(15)16/h4-5,13H,6H2,1-3H3,(H,15,16).
What are the key properties of 5-[(2-methoxy-2-methylpropyl)amino]-2-nitropyridine-4-carboxylic acid?
5-[(2-methoxy-2-methylpropyl)amino]-2-nitropyridine-4-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxy-2-methylpropyl)amino]-2-nitropyridine-4-carboxylic acid is sourced from PubChem (CID 114194513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).