5-[(2,2-dimethylcyclopropyl)methylamino]-2-nitropyridine-4-carboxylic acid

C12H15N3O4 — CID 114194554

IUPAC5-[(2,2-dimethylcyclopropyl)methylamino]-2-nitropyridine-4-carboxylic acid
SMILESCC1(C)CC1CNc1cnc([N+](=O)[O-])cc1C(=O)O
InChIInChI=1S/C12H15N3O4/c1-12(2)4-7(12)5-13-9-6-14-10(15(18)19)3-8(9)11(16)17/h3,6-7,13H,4-5H2,1-2H3,(H,16,17)
InChIKeyWIDSJRMJCDICOJ-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.15
Rot. Bonds5

About 5-[(2,2-dimethylcyclopropyl)methylamino]-2-nitropyridine-4-carboxylic acid

5-[(2,2-dimethylcyclopropyl)methylamino]-2-nitropyridine-4-carboxylic acid (PubChem CID 114194554) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 5-[(2,2-dimethylcyclopropyl)methylamino]-2-nitropyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-[(2,2-dimethylcyclopropyl)methylamino]-2-nitropyridine-4-carboxylic acid
PubChem CID114194554
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name5-[(2,2-dimethylcyclopropyl)methylamino]-2-nitropyridine-4-carboxylic acid
SMILESCC1(C)CC1CNc1cnc([N+](=O)[O-])cc1C(=O)O
InChIInChI=1S/C12H15N3O4/c1-12(2)4-7(12)5-13-9-6-14-10(15(18)19)3-8(9)11(16)17/h3,6-7,13H,4-5H2,1-2H3,(H,16,17)
InChIKeyWIDSJRMJCDICOJ-UHFFFAOYSA-N
XLogP2.15
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[[(E)-pent-3-enyl]amino]pyridine-4-carboxylic acid
CID 114194514
5-[(2-methoxy-2-methylpropyl)amino]-2-nitropyridine-4-carboxylic acid
CID 114194513
2-nitro-5-(3,3,3-trifluoropropylamino)pyridine-4-carboxylic acid
CID 114194485
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
2-nitro-5-(2-sulfamoylethylamino)pyridine-4-carboxylic acid
CID 114194432
5-amino-2-nitropyridine-4-carboxylic acid
CID 127018665
N-ethyl-2-nitro-5-(propylamino)pyridine-4-carboxamide
CID 114195863
2-(ethylamino)-5-nitropyridine-3-carboxylic acid
CID 82470807
5-[cyclopropyl(ethyl)amino]-2-nitropyridine-4-carboxylic acid
CID 114194423
2-[2-(dimethylamino)ethylamino]-5-nitropyridine-3-carboxylic acid
CID 98016555
2-(1-cyclopropylethylamino)-5-nitropyridine-3-carboxylic acid
CID 114046682

Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-dimethylcyclopropyl)methylamino]-2-nitropyridine-4-carboxylic acid?
The IUPAC name of 5-[(2,2-dimethylcyclopropyl)methylamino]-2-nitropyridine-4-carboxylic acid (CID 114194554) is 5-[(2,2-dimethylcyclopropyl)methylamino]-2-nitropyridine-4-carboxylic acid.
What is the SMILES notation for 5-[(2,2-dimethylcyclopropyl)methylamino]-2-nitropyridine-4-carboxylic acid?
The canonical SMILES for 5-[(2,2-dimethylcyclopropyl)methylamino]-2-nitropyridine-4-carboxylic acid is CC1(C)CC1CNc1cnc([N+](=O)[O-])cc1C(=O)O.
What is the InChIKey of 5-[(2,2-dimethylcyclopropyl)methylamino]-2-nitropyridine-4-carboxylic acid?
The InChIKey is WIDSJRMJCDICOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-12(2)4-7(12)5-13-9-6-14-10(15(18)19)3-8(9)11(16)17/h3,6-7,13H,4-5H2,1-2H3,(H,16,17).
What are the key properties of 5-[(2,2-dimethylcyclopropyl)methylamino]-2-nitropyridine-4-carboxylic acid?
5-[(2,2-dimethylcyclopropyl)methylamino]-2-nitropyridine-4-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-dimethylcyclopropyl)methylamino]-2-nitropyridine-4-carboxylic acid is sourced from PubChem (CID 114194554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).