5-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-nitropyridine-4-carboxylic acid

C9H10N4O6 — CID 114194558

IUPAC5-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-nitropyridine-4-carboxylic acid
SMILESNC(=O)C(O)CNc1cnc([N+](=O)[O-])cc1C(=O)O
InChIInChI=1S/C9H10N4O6/c10-8(15)6(14)3-11-5-2-12-7(13(18)19)1-4(5)9(16)17/h1-2,6,11,14H,3H2,(H2,10,15)(H,16,17)
InChIKeyWLVQJAOFSWENKR-UHFFFAOYSA-N
MW270.20 g/mol
LogP-1.05
Rot. Bonds6

About 5-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-nitropyridine-4-carboxylic acid

5-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-nitropyridine-4-carboxylic acid (PubChem CID 114194558) has the molecular formula C9H10N4O6 and a molecular weight of 270.20 g/mol. Its IUPAC name is 5-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-nitropyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-nitropyridine-4-carboxylic acid
PubChem CID114194558
Molecular FormulaC9H10N4O6
Molecular Weight270.20 g/mol
Exact Mass270.06
IUPAC Name5-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-nitropyridine-4-carboxylic acid
SMILESNC(=O)C(O)CNc1cnc([N+](=O)[O-])cc1C(=O)O
InChIInChI=1S/C9H10N4O6/c10-8(15)6(14)3-11-5-2-12-7(13(18)19)1-4(5)9(16)17/h1-2,6,11,14H,3H2,(H2,10,15)(H,16,17)
InChIKeyWLVQJAOFSWENKR-UHFFFAOYSA-N
XLogP-1.05
TPSA168.68 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.20
LogP ≤ 5-1.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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-(2-sulfamoylethylamino)pyridine-4-carboxylic acid
CID 114194432
2-nitro-5-(3,3,3-trifluoropropylamino)pyridine-4-carboxylic acid
CID 114194485
3-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-nitrobenzoic acid
CID 114154296
5-[(2-methoxy-2-methylpropyl)amino]-2-nitropyridine-4-carboxylic acid
CID 114194513
2-nitro-5-[[(E)-pent-3-enyl]amino]pyridine-4-carboxylic acid
CID 114194514
5-[(2,2-dimethylcyclopropyl)methylamino]-2-nitropyridine-4-carboxylic acid
CID 114194554
5-(3-methylsulfinylpropylamino)-2-nitropyridine-4-carboxylic acid
CID 114194524
5-amino-2-nitropyridine-4-carboxylic acid
CID 127018665
4-[(3-amino-2-hydroxy-3-oxopropyl)amino]-3-nitrobenzoic acid
CID 106177297
2-hydroxy-3-[(5-nitropyrimidin-2-yl)amino]propanamide
CID 106170845
2-hydroxy-3-[(5-nitro-1,3-thiazol-2-yl)amino]propanamide
CID 106171071
N-(3-amino-2-hydroxy-3-oxopropyl)-2-chloro-5-nitropyridine-3-carboxamide
CID 106164488

Frequently Asked Questions

What is the IUPAC name of 5-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-nitropyridine-4-carboxylic acid?
The IUPAC name of 5-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-nitropyridine-4-carboxylic acid (CID 114194558) is 5-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-nitropyridine-4-carboxylic acid.
What is the SMILES notation for 5-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-nitropyridine-4-carboxylic acid?
The canonical SMILES for 5-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-nitropyridine-4-carboxylic acid is NC(=O)C(O)CNc1cnc([N+](=O)[O-])cc1C(=O)O.
What is the InChIKey of 5-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-nitropyridine-4-carboxylic acid?
The InChIKey is WLVQJAOFSWENKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O6/c10-8(15)6(14)3-11-5-2-12-7(13(18)19)1-4(5)9(16)17/h1-2,6,11,14H,3H2,(H2,10,15)(H,16,17).
What are the key properties of 5-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-nitropyridine-4-carboxylic acid?
5-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-nitropyridine-4-carboxylic acid has a molecular weight of 270.20 g/mol, XLogP of -1.05, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-nitropyridine-4-carboxylic acid is sourced from PubChem (CID 114194558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).