5-(6-methoxy-3-pyridinyl)-3-nitropyridin-2-amine

C11H10N4O3 — CID 11357014

IUPAC5-(6-methoxy-3-pyridinyl)-3-nitropyridin-2-amine
SMILESCOc1ccc(-c2cnc(N)c([N+](=O)[O-])c2)cn1
InChIInChI=1S/C11H10N4O3/c1-18-10-3-2-7(5-13-10)8-4-9(15(16)17)11(12)14-6-8/h2-6H,1H3,(H2,12,14)
InChIKeyNSZOQZYKDXLCCX-UHFFFAOYSA-N
MW246.23 g/mol
LogP1.64
Rot. Bonds3

About 5-(6-methoxy-3-pyridinyl)-3-nitropyridin-2-amine

5-(6-methoxy-3-pyridinyl)-3-nitropyridin-2-amine (PubChem CID 11357014) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is 5-(6-methoxy-3-pyridinyl)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name5-(6-methoxy-3-pyridinyl)-3-nitropyridin-2-amine
PubChem CID11357014
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC Name5-(6-methoxy-3-pyridinyl)-3-nitropyridin-2-amine
SMILESCOc1ccc(-c2cnc(N)c([N+](=O)[O-])c2)cn1
InChIInChI=1S/C11H10N4O3/c1-18-10-3-2-7(5-13-10)8-4-9(15(16)17)11(12)14-6-8/h2-6H,1H3,(H2,12,14)
InChIKeyNSZOQZYKDXLCCX-UHFFFAOYSA-N
XLogP1.64
TPSA104.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 5-(6-methoxy-3-pyridinyl)-3-nitropyridin-2-amine?
The IUPAC name of 5-(6-methoxy-3-pyridinyl)-3-nitropyridin-2-amine (CID 11357014) is 5-(6-methoxy-3-pyridinyl)-3-nitropyridin-2-amine.
What is the SMILES notation for 5-(6-methoxy-3-pyridinyl)-3-nitropyridin-2-amine?
The canonical SMILES for 5-(6-methoxy-3-pyridinyl)-3-nitropyridin-2-amine is COc1ccc(-c2cnc(N)c([N+](=O)[O-])c2)cn1.
What is the InChIKey of 5-(6-methoxy-3-pyridinyl)-3-nitropyridin-2-amine?
The InChIKey is NSZOQZYKDXLCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c1-18-10-3-2-7(5-13-10)8-4-9(15(16)17)11(12)14-6-8/h2-6H,1H3,(H2,12,14).
What are the key properties of 5-(6-methoxy-3-pyridinyl)-3-nitropyridin-2-amine?
5-(6-methoxy-3-pyridinyl)-3-nitropyridin-2-amine has a molecular weight of 246.23 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxy-3-pyridinyl)-3-nitropyridin-2-amine is sourced from PubChem (CID 11357014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).