1-(6-chloro-3-nitro-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine

C11H15ClN4O2 — CID 55158602

IUPAC1-(6-chloro-3-nitro-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(c2nc(Cl)ccc2[N+](=O)[O-])C1
InChIInChI=1S/C11H15ClN4O2/c1-14(2)8-5-6-15(7-8)11-9(16(17)18)3-4-10(12)13-11/h3-4,8H,5-7H2,1-2H3
InChIKeyOKNIRPUZGGINRX-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.78
Rot. Bonds3

About 1-(6-chloro-3-nitro-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine

1-(6-chloro-3-nitro-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine (PubChem CID 55158602) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is 1-(6-chloro-3-nitro-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(6-chloro-3-nitro-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine
PubChem CID55158602
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC Name1-(6-chloro-3-nitro-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(c2nc(Cl)ccc2[N+](=O)[O-])C1
InChIInChI=1S/C11H15ClN4O2/c1-14(2)8-5-6-15(7-8)11-9(16(17)18)3-4-10(12)13-11/h3-4,8H,5-7H2,1-2H3
InChIKeyOKNIRPUZGGINRX-UHFFFAOYSA-N
XLogP1.78
TPSA62.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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 1-(6-chloro-3-nitro-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-(6-chloro-3-nitro-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine (CID 55158602) is 1-(6-chloro-3-nitro-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(6-chloro-3-nitro-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(6-chloro-3-nitro-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine is CN(C)C1CCN(c2nc(Cl)ccc2[N+](=O)[O-])C1.
What is the InChIKey of 1-(6-chloro-3-nitro-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is OKNIRPUZGGINRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c1-14(2)8-5-6-15(7-8)11-9(16(17)18)3-4-10(12)13-11/h3-4,8H,5-7H2,1-2H3.
What are the key properties of 1-(6-chloro-3-nitro-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine?
1-(6-chloro-3-nitro-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 270.72 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-nitro-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 55158602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).