2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5-nitropyridine-3-carboxylic acid

C10H13N3O6 — CID 106190136

IUPAC2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5-nitropyridine-3-carboxylic acid
SMILESCOCC(CO)Nc1ncc([N+](=O)[O-])cc1C(=O)O
InChIInChI=1S/C10H13N3O6/c1-19-5-6(4-14)12-9-8(10(15)16)2-7(3-11-9)13(17)18/h2-3,6,14H,4-5H2,1H3,(H,11,12)(H,15,16)
InChIKeyGYBJIYVSUYBXJQ-UHFFFAOYSA-N
MW271.23 g/mol
LogP0.11
Rot. Bonds7

About 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5-nitropyridine-3-carboxylic acid

2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5-nitropyridine-3-carboxylic acid (PubChem CID 106190136) has the molecular formula C10H13N3O6 and a molecular weight of 271.23 g/mol. Its IUPAC name is 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5-nitropyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5-nitropyridine-3-carboxylic acid
PubChem CID106190136
Molecular FormulaC10H13N3O6
Molecular Weight271.23 g/mol
Exact Mass271.08
IUPAC Name2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5-nitropyridine-3-carboxylic acid
SMILESCOCC(CO)Nc1ncc([N+](=O)[O-])cc1C(=O)O
InChIInChI=1S/C10H13N3O6/c1-19-5-6(4-14)12-9-8(10(15)16)2-7(3-11-9)13(17)18/h2-3,6,14H,4-5H2,1H3,(H,11,12)(H,15,16)
InChIKeyGYBJIYVSUYBXJQ-UHFFFAOYSA-N
XLogP0.11
TPSA134.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 50.11
H-Bond Donors ≤ 53
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-(1-hydroxypentan-3-ylamino)-5-nitropyridine-3-carboxylic acid
CID 114046856
2-(3,3-dimethylbutan-2-ylamino)-5-nitropyridine-3-carboxylic acid
CID 114046842
2-(ethylamino)-5-nitropyridine-3-carboxylic acid
CID 82470807
2-(1-cyclopropylethylamino)-5-nitropyridine-3-carboxylic acid
CID 114046682
3-methoxy-2-[(3-methyl-5-nitro-2-pyridinyl)amino]propanoic acid
CID 81077962
2-fluoro-5-[(1-hydroxy-3-methoxypropan-2-yl)amino]-4-nitrobenzoic acid
CID 106190201
2-fluoro-4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5-nitrobenzoic acid
CID 106190163
3-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyrazine-2-carboxylic acid
CID 106197957
2-[2-(dimethylamino)ethylamino]-5-nitropyridine-3-carboxylic acid
CID 98016555
2-[(3-bromo-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 79535054
2-[(2,2-difluoro-3-hydroxypropyl)amino]-5-nitropyridine-3-carboxylic acid
CID 114154314
2-[[1-(hydroxymethyl)cyclobutyl]amino]-5-nitropyridine-3-carboxylic acid
CID 114046863

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5-nitropyridine-3-carboxylic acid?
The IUPAC name of 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5-nitropyridine-3-carboxylic acid (CID 106190136) is 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5-nitropyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5-nitropyridine-3-carboxylic acid?
The canonical SMILES for 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5-nitropyridine-3-carboxylic acid is COCC(CO)Nc1ncc([N+](=O)[O-])cc1C(=O)O.
What is the InChIKey of 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5-nitropyridine-3-carboxylic acid?
The InChIKey is GYBJIYVSUYBXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O6/c1-19-5-6(4-14)12-9-8(10(15)16)2-7(3-11-9)13(17)18/h2-3,6,14H,4-5H2,1H3,(H,11,12)(H,15,16).
What are the key properties of 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5-nitropyridine-3-carboxylic acid?
2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5-nitropyridine-3-carboxylic acid has a molecular weight of 271.23 g/mol, XLogP of 0.11, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5-nitropyridine-3-carboxylic acid is sourced from PubChem (CID 106190136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).