3-nitro-2-(2-pyrrolidin-2-ylethoxy)pyridine

C11H15N3O3 — CID 71144755

IUPAC3-nitro-2-(2-pyrrolidin-2-ylethoxy)pyridine
SMILESO=[N+]([O-])c1cccnc1OCCC1CCCN1
InChIInChI=1S/C11H15N3O3/c15-14(16)10-4-2-7-13-11(10)17-8-5-9-3-1-6-12-9/h2,4,7,9,12H,1,3,5-6,8H2
InChIKeyIIZFIUBCLNQIAX-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.51
Rot. Bonds5

About 3-nitro-2-(2-pyrrolidin-2-ylethoxy)pyridine

3-nitro-2-(2-pyrrolidin-2-ylethoxy)pyridine (PubChem CID 71144755) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-nitro-2-(2-pyrrolidin-2-ylethoxy)pyridine.

Molecular Properties

Compound Name3-nitro-2-(2-pyrrolidin-2-ylethoxy)pyridine
PubChem CID71144755
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-nitro-2-(2-pyrrolidin-2-ylethoxy)pyridine
SMILESO=[N+]([O-])c1cccnc1OCCC1CCCN1
InChIInChI=1S/C11H15N3O3/c15-14(16)10-4-2-7-13-11(10)17-8-5-9-3-1-6-12-9/h2,4,7,9,12H,1,3,5-6,8H2
InChIKeyIIZFIUBCLNQIAX-UHFFFAOYSA-N
XLogP1.51
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.51
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 3-nitro-2-(2-pyrrolidin-2-ylethoxy)pyridine 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

3-nitro-2-[3-[(3R)-piperidin-3-yl]propoxy]pyridine
CID 97177823
2-(2-piperidin-2-ylethoxy)pyridine-3-carboxamide
CID 62347441
8-nitro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]quinolin-5-amine
CID 104973546
N-(cyclopropylmethyl)-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620104
3-nitro-N-(5-piperidin-2-ylpentyl)pyridin-2-amine
CID 57073623
6-(2-pyrrolidin-2-ylethoxy)quinoline
CID 82130155
2-cyclopentyloxy-3-nitropyridine
CID 124707283
(2S)-2-[2-(4-methyl-2-nitrophenoxy)ethyl]piperidine
CID 86321509
6-methyl-3-nitro-2-(pyrrolidin-2-ylmethoxy)pyridine
CID 81137313
3-(2-piperidin-2-ylethoxy)pyridine;hydrochloride
CID 56830402
2-[2-(3-nitrophenoxy)ethyl]piperidine;hydrochloride
CID 56830416
(2R)-2-[(2-chloro-6-nitrophenoxy)methyl]pyrrolidine
CID 107716862

Frequently Asked Questions

What is the IUPAC name of 3-nitro-2-(2-pyrrolidin-2-ylethoxy)pyridine?
The IUPAC name of 3-nitro-2-(2-pyrrolidin-2-ylethoxy)pyridine (CID 71144755) is 3-nitro-2-(2-pyrrolidin-2-ylethoxy)pyridine.
What is the SMILES notation for 3-nitro-2-(2-pyrrolidin-2-ylethoxy)pyridine?
The canonical SMILES for 3-nitro-2-(2-pyrrolidin-2-ylethoxy)pyridine is O=[N+]([O-])c1cccnc1OCCC1CCCN1.
What is the InChIKey of 3-nitro-2-(2-pyrrolidin-2-ylethoxy)pyridine?
The InChIKey is IIZFIUBCLNQIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c15-14(16)10-4-2-7-13-11(10)17-8-5-9-3-1-6-12-9/h2,4,7,9,12H,1,3,5-6,8H2.
What are the key properties of 3-nitro-2-(2-pyrrolidin-2-ylethoxy)pyridine?
3-nitro-2-(2-pyrrolidin-2-ylethoxy)pyridine has a molecular weight of 237.26 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2-(2-pyrrolidin-2-ylethoxy)pyridine is sourced from PubChem (CID 71144755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).