2-(1-hydroxypentan-3-ylamino)-5-nitropyridine-3-carboxylic acid

C11H15N3O5 — CID 114046856

IUPAC2-(1-hydroxypentan-3-ylamino)-5-nitropyridine-3-carboxylic acid
SMILESCCC(CCO)Nc1ncc([N+](=O)[O-])cc1C(=O)O
InChIInChI=1S/C11H15N3O5/c1-2-7(3-4-15)13-10-9(11(16)17)5-8(6-12-10)14(18)19/h5-7,15H,2-4H2,1H3,(H,12,13)(H,16,17)
InChIKeyBNOMDSDWETWPBO-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.26
Rot. Bonds7

About 2-(1-hydroxypentan-3-ylamino)-5-nitropyridine-3-carboxylic acid

2-(1-hydroxypentan-3-ylamino)-5-nitropyridine-3-carboxylic acid (PubChem CID 114046856) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-(1-hydroxypentan-3-ylamino)-5-nitropyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(1-hydroxypentan-3-ylamino)-5-nitropyridine-3-carboxylic acid
PubChem CID114046856
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name2-(1-hydroxypentan-3-ylamino)-5-nitropyridine-3-carboxylic acid
SMILESCCC(CCO)Nc1ncc([N+](=O)[O-])cc1C(=O)O
InChIInChI=1S/C11H15N3O5/c1-2-7(3-4-15)13-10-9(11(16)17)5-8(6-12-10)14(18)19/h5-7,15H,2-4H2,1H3,(H,12,13)(H,16,17)
InChIKeyBNOMDSDWETWPBO-UHFFFAOYSA-N
XLogP1.26
TPSA125.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.26
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'}

Analyze 2-(1-hydroxypentan-3-ylamino)-5-nitropyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5-nitropyridine-3-carboxylic acid
CID 106190136
2-(1-hydroxypentan-3-ylamino)-5-nitropyridine-3-carbonitrile
CID 113240568
2-(ethylamino)-5-nitropyridine-3-carboxylic acid
CID 82470807
N-(1-hydroxypentan-3-yl)-2-methyl-5-nitropyridine-3-carboxamide
CID 109478731
2-(3,3-dimethylbutan-2-ylamino)-5-nitropyridine-3-carboxylic acid
CID 114046842
N-hexan-3-yl-3-methyl-5-nitropyridin-2-amine
CID 62476877
2-[(3-bromo-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 79535054
2-(1-cyclopropylethylamino)-5-nitropyridine-3-carboxylic acid
CID 114046682
3-[(5-chloro-3-nitro-2-pyridinyl)amino]pentan-1-ol
CID 115747035
3-[(3-bromo-4-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
CID 113428647
2-(1-aminohexan-2-ylamino)-5-nitropyridine-3-carboxamide
CID 80700351
2-chloro-N-[(2R)-1-hydroxybutan-2-yl]-5-nitropyridine-3-carboxamide
CID 114046633

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxypentan-3-ylamino)-5-nitropyridine-3-carboxylic acid?
The IUPAC name of 2-(1-hydroxypentan-3-ylamino)-5-nitropyridine-3-carboxylic acid (CID 114046856) is 2-(1-hydroxypentan-3-ylamino)-5-nitropyridine-3-carboxylic acid.
What is the SMILES notation for 2-(1-hydroxypentan-3-ylamino)-5-nitropyridine-3-carboxylic acid?
The canonical SMILES for 2-(1-hydroxypentan-3-ylamino)-5-nitropyridine-3-carboxylic acid is CCC(CCO)Nc1ncc([N+](=O)[O-])cc1C(=O)O.
What is the InChIKey of 2-(1-hydroxypentan-3-ylamino)-5-nitropyridine-3-carboxylic acid?
The InChIKey is BNOMDSDWETWPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-2-7(3-4-15)13-10-9(11(16)17)5-8(6-12-10)14(18)19/h5-7,15H,2-4H2,1H3,(H,12,13)(H,16,17).
What are the key properties of 2-(1-hydroxypentan-3-ylamino)-5-nitropyridine-3-carboxylic acid?
2-(1-hydroxypentan-3-ylamino)-5-nitropyridine-3-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 1.26, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxypentan-3-ylamino)-5-nitropyridine-3-carboxylic acid is sourced from PubChem (CID 114046856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).