2-methyl-3-nitro-6-pyrrolidin-3-yloxypyridine

C10H13N3O3 — CID 66883552

IUPAC2-methyl-3-nitro-6-pyrrolidin-3-yloxypyridine
SMILESCc1nc(OC2CCNC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O3/c1-7-9(13(14)15)2-3-10(12-7)16-8-4-5-11-6-8/h2-3,8,11H,4-6H2,1H3
InChIKeyZWJNQFPFFMTZQT-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.04
Rot. Bonds3

About 2-methyl-3-nitro-6-pyrrolidin-3-yloxypyridine

2-methyl-3-nitro-6-pyrrolidin-3-yloxypyridine (PubChem CID 66883552) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-methyl-3-nitro-6-pyrrolidin-3-yloxypyridine.

Molecular Properties

Compound Name2-methyl-3-nitro-6-pyrrolidin-3-yloxypyridine
PubChem CID66883552
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name2-methyl-3-nitro-6-pyrrolidin-3-yloxypyridine
SMILESCc1nc(OC2CCNC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O3/c1-7-9(13(14)15)2-3-10(12-7)16-8-4-5-11-6-8/h2-3,8,11H,4-6H2,1H3
InChIKeyZWJNQFPFFMTZQT-UHFFFAOYSA-N
XLogP1.04
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.04
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-nitro-6-pyrrolidin-3-yloxypyridine?
The IUPAC name of 2-methyl-3-nitro-6-pyrrolidin-3-yloxypyridine (CID 66883552) is 2-methyl-3-nitro-6-pyrrolidin-3-yloxypyridine.
What is the SMILES notation for 2-methyl-3-nitro-6-pyrrolidin-3-yloxypyridine?
The canonical SMILES for 2-methyl-3-nitro-6-pyrrolidin-3-yloxypyridine is Cc1nc(OC2CCNC2)ccc1[N+](=O)[O-].
What is the InChIKey of 2-methyl-3-nitro-6-pyrrolidin-3-yloxypyridine?
The InChIKey is ZWJNQFPFFMTZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-7-9(13(14)15)2-3-10(12-7)16-8-4-5-11-6-8/h2-3,8,11H,4-6H2,1H3.
What are the key properties of 2-methyl-3-nitro-6-pyrrolidin-3-yloxypyridine?
2-methyl-3-nitro-6-pyrrolidin-3-yloxypyridine has a molecular weight of 223.23 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-nitro-6-pyrrolidin-3-yloxypyridine is sourced from PubChem (CID 66883552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).