1-(6-amino-5-nitro-2-pyridinyl)pyrrolidine-3-carboxylic acid

C10H12N4O4 — CID 79825655

IUPAC1-(6-amino-5-nitro-2-pyridinyl)pyrrolidine-3-carboxylic acid
SMILESNc1nc(N2CCC(C(=O)O)C2)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H12N4O4/c11-9-7(14(17)18)1-2-8(12-9)13-4-3-6(5-13)10(15)16/h1-2,6H,3-5H2,(H2,11,12)(H,15,16)
InChIKeyWRIPHCJOXSJAPV-UHFFFAOYSA-N
MW252.23 g/mol
LogP0.48
Rot. Bonds3

About 1-(6-amino-5-nitro-2-pyridinyl)pyrrolidine-3-carboxylic acid

1-(6-amino-5-nitro-2-pyridinyl)pyrrolidine-3-carboxylic acid (PubChem CID 79825655) has the molecular formula C10H12N4O4 and a molecular weight of 252.23 g/mol. Its IUPAC name is 1-(6-amino-5-nitro-2-pyridinyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-amino-5-nitro-2-pyridinyl)pyrrolidine-3-carboxylic acid
PubChem CID79825655
Molecular FormulaC10H12N4O4
Molecular Weight252.23 g/mol
Exact Mass252.09
IUPAC Name1-(6-amino-5-nitro-2-pyridinyl)pyrrolidine-3-carboxylic acid
SMILESNc1nc(N2CCC(C(=O)O)C2)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H12N4O4/c11-9-7(14(17)18)1-2-8(12-9)13-4-3-6(5-13)10(15)16/h1-2,6H,3-5H2,(H2,11,12)(H,15,16)
InChIKeyWRIPHCJOXSJAPV-UHFFFAOYSA-N
XLogP0.48
TPSA122.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 50.48
H-Bond Donors ≤ 52
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

1-(6-amino-5-nitro-2-pyridinyl)-N-methylpiperidine-3-carboxamide
CID 103198490
1-[1-(6-amino-5-nitro-2-pyridinyl)pyrrolidin-3-yl]ethanol
CID 112627940
1-(6-amino-5-nitro-2-pyridinyl)azepane-2-carboxylic acid
CID 79828132
3-[1-(6-amino-5-nitro-2-pyridinyl)piperidin-4-yl]propanoic acid
CID 79826424
6-(3-amino-4-methylpyrrolidin-1-yl)-3-nitropyridin-2-amine
CID 103577786
1-(6-amino-5-nitro-2-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79827817
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-nitropyridin-2-amine
CID 113336387
6-(4-methylsulfanylpiperidin-1-yl)-3-nitropyridin-2-amine
CID 114238626
6-[4-(2-aminoethyl)piperidin-1-yl]-3-nitropyridin-2-amine
CID 79816389
6-[4-(1-aminoethyl)piperidin-1-yl]-3-nitropyridin-2-amine
CID 79816167
6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-nitropyridin-2-amine
CID 99718979
6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-nitropyridin-2-amine
CID 99718980

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-5-nitro-2-pyridinyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(6-amino-5-nitro-2-pyridinyl)pyrrolidine-3-carboxylic acid (CID 79825655) is 1-(6-amino-5-nitro-2-pyridinyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(6-amino-5-nitro-2-pyridinyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(6-amino-5-nitro-2-pyridinyl)pyrrolidine-3-carboxylic acid is Nc1nc(N2CCC(C(=O)O)C2)ccc1[N+](=O)[O-].
What is the InChIKey of 1-(6-amino-5-nitro-2-pyridinyl)pyrrolidine-3-carboxylic acid?
The InChIKey is WRIPHCJOXSJAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O4/c11-9-7(14(17)18)1-2-8(12-9)13-4-3-6(5-13)10(15)16/h1-2,6H,3-5H2,(H2,11,12)(H,15,16).
What are the key properties of 1-(6-amino-5-nitro-2-pyridinyl)pyrrolidine-3-carboxylic acid?
1-(6-amino-5-nitro-2-pyridinyl)pyrrolidine-3-carboxylic acid has a molecular weight of 252.23 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-5-nitro-2-pyridinyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79825655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).