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

C10H10BrN3O4 — CID 61230177

IUPAC1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1c1ncc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C10H10BrN3O4/c11-6-4-8(14(17)18)9(12-5-6)13-3-1-2-7(13)10(15)16/h4-5,7H,1-3H2,(H,15,16)
InChIKeyONXSQUFGTDKUAO-UHFFFAOYSA-N
MW316.11 g/mol
LogP1.81
Rot. Bonds3

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

1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid (PubChem CID 61230177) has the molecular formula C10H10BrN3O4 and a molecular weight of 316.11 g/mol. Its IUPAC name is 1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid
PubChem CID61230177
Molecular FormulaC10H10BrN3O4
Molecular Weight316.11 g/mol
Exact Mass314.99
IUPAC Name1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1c1ncc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C10H10BrN3O4/c11-6-4-8(14(17)18)9(12-5-6)13-3-1-2-7(13)10(15)16/h4-5,7H,1-3H2,(H,15,16)
InChIKeyONXSQUFGTDKUAO-UHFFFAOYSA-N
XLogP1.81
TPSA96.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.11
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidine-2-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

ethyl (2S)-1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidine-2-carboxylate
CID 58324356
1-(5-chloro-3-nitro-2-pyridinyl)piperidine-2-carboxylic acid
CID 15740880
(2R)-1-(3-bromo-5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120965048
[1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidin-2-yl]methyl acetate
CID 118393174
1-(3-fluoro-5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 122058725
1-(5-bromo-3-nitro-2-pyridinyl)piperidin-3-amine
CID 61297983
1-(2-chloro-5-nitropyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 123766281
1-(3-methyl-5-nitro-2-pyridinyl)piperidine-2-carboxylic acid
CID 62477365
1-(5-bromo-3-nitro-2-pyridinyl)-N-methylpiperidin-3-amine
CID 62545848
(2S)-1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120964915
1-(5-bromo-3-nitro-2-pyridinyl)piperidine-3-carbaldehyde
CID 62664875
1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidine-3-carboxamide
CID 103768234

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid (CID 61230177) is 1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1c1ncc(Br)cc1[N+](=O)[O-].
What is the InChIKey of 1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid?
The InChIKey is ONXSQUFGTDKUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O4/c11-6-4-8(14(17)18)9(12-5-6)13-3-1-2-7(13)10(15)16/h4-5,7H,1-3H2,(H,15,16).
What are the key properties of 1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid?
1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid has a molecular weight of 316.11 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61230177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).