6-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-nitropyridine-2-carboxylic acid

C11H15N3O5 — CID 114404286

IUPAC6-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-nitropyridine-2-carboxylic acid
SMILESCC(C)C(CO)Nc1nc(C(=O)O)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O5/c1-6(2)8(5-15)13-10-9(14(18)19)4-3-7(12-10)11(16)17/h3-4,6,8,15H,5H2,1-2H3,(H,12,13)(H,16,17)
InChIKeyHHOJASVAKVLIGF-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.12
Rot. Bonds6

About 6-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-nitropyridine-2-carboxylic acid

6-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-nitropyridine-2-carboxylic acid (PubChem CID 114404286) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 6-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-nitropyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-nitropyridine-2-carboxylic acid
PubChem CID114404286
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name6-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-nitropyridine-2-carboxylic acid
SMILESCC(C)C(CO)Nc1nc(C(=O)O)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O5/c1-6(2)8(5-15)13-10-9(14(18)19)4-3-7(12-10)11(16)17/h3-4,6,8,15H,5H2,1-2H3,(H,12,13)(H,16,17)
InChIKeyHHOJASVAKVLIGF-UHFFFAOYSA-N
XLogP1.12
TPSA125.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.12
H-Bond Donors ≤ 53
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

methyl 6-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-nitropyridine-2-carboxylate
CID 114404287
6-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-5-nitropyridine-2-carboxylic acid
CID 106345803
6-(5-methylhexan-2-ylamino)-5-nitropyridine-2-carboxylic acid
CID 114404154
2-[(6-methoxy-3-nitro-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 112703231
(2S)-2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-3-methylbutan-1-ol
CID 80848436
5-nitro-6-(1-pyridin-4-ylethylamino)pyridine-2-carboxylic acid
CID 114403632
6-(ethylamino)-5-nitropyridine-2-carboxylic acid
CID 114403392
2-[(2-amino-5-nitropyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 114045446
(2R)-3-methyl-2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 11447797
5-nitro-6-[1-(oxolan-2-yl)ethylamino]pyridine-2-carboxylic acid
CID 114403642
6-methyl-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine
CID 81138251
1-[(1-hydroxy-3-methylbutan-2-yl)amino]isoquinoline-3-carboxylic acid
CID 79250084

Frequently Asked Questions

What is the IUPAC name of 6-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-nitropyridine-2-carboxylic acid?
The IUPAC name of 6-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-nitropyridine-2-carboxylic acid (CID 114404286) is 6-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-nitropyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-nitropyridine-2-carboxylic acid?
The canonical SMILES for 6-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-nitropyridine-2-carboxylic acid is CC(C)C(CO)Nc1nc(C(=O)O)ccc1[N+](=O)[O-].
What is the InChIKey of 6-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-nitropyridine-2-carboxylic acid?
The InChIKey is HHOJASVAKVLIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-6(2)8(5-15)13-10-9(14(18)19)4-3-7(12-10)11(16)17/h3-4,6,8,15H,5H2,1-2H3,(H,12,13)(H,16,17).
What are the key properties of 6-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-nitropyridine-2-carboxylic acid?
6-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-nitropyridine-2-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-nitropyridine-2-carboxylic acid is sourced from PubChem (CID 114404286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).