N-[2-(furan-2-yl)ethyl]-6-nitropyridin-3-amine

C11H11N3O3 — CID 60631962

IUPACN-[2-(furan-2-yl)ethyl]-6-nitropyridin-3-amine
SMILESO=[N+]([O-])c1ccc(NCCc2ccco2)cn1
InChIInChI=1S/C11H11N3O3/c15-14(16)11-4-3-9(8-13-11)12-6-5-10-2-1-7-17-10/h1-4,7-8,12H,5-6H2
InChIKeyOFEJKHOIQPZINB-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.24
Rot. Bonds5

About N-[2-(furan-2-yl)ethyl]-6-nitropyridin-3-amine

N-[2-(furan-2-yl)ethyl]-6-nitropyridin-3-amine (PubChem CID 60631962) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-6-nitropyridin-3-amine.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-6-nitropyridin-3-amine
PubChem CID60631962
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC NameN-[2-(furan-2-yl)ethyl]-6-nitropyridin-3-amine
SMILESO=[N+]([O-])c1ccc(NCCc2ccco2)cn1
InChIInChI=1S/C11H11N3O3/c15-14(16)11-4-3-9(8-13-11)12-6-5-10-2-1-7-17-10/h1-4,7-8,12H,5-6H2
InChIKeyOFEJKHOIQPZINB-UHFFFAOYSA-N
XLogP2.24
TPSA81.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.24
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 N-[2-(furan-2-yl)ethyl]-6-nitropyridin-3-amine?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-6-nitropyridin-3-amine (CID 60631962) is N-[2-(furan-2-yl)ethyl]-6-nitropyridin-3-amine.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-6-nitropyridin-3-amine?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-6-nitropyridin-3-amine is O=[N+]([O-])c1ccc(NCCc2ccco2)cn1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-6-nitropyridin-3-amine?
The InChIKey is OFEJKHOIQPZINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c15-14(16)11-4-3-9(8-13-11)12-6-5-10-2-1-7-17-10/h1-4,7-8,12H,5-6H2.
What are the key properties of N-[2-(furan-2-yl)ethyl]-6-nitropyridin-3-amine?
N-[2-(furan-2-yl)ethyl]-6-nitropyridin-3-amine has a molecular weight of 233.23 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-6-nitropyridin-3-amine is sourced from PubChem (CID 60631962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).