6-methoxy-2-nitropyridin-3-amine

C6H7N3O3 — CID 13077420

IUPAC6-methoxy-2-nitropyridin-3-amine
SMILESCOc1ccc(N)c([N+](=O)[O-])n1
InChIInChI=1S/C6H7N3O3/c1-12-5-3-2-4(7)6(8-5)9(10)11/h2-3H,7H2,1H3
InChIKeyUPJBCGDOOHYSGL-UHFFFAOYSA-N
MW169.14 g/mol
LogP0.58
Rot. Bonds2

About 6-methoxy-2-nitropyridin-3-amine

6-methoxy-2-nitropyridin-3-amine (PubChem CID 13077420) has the molecular formula C6H7N3O3 and a molecular weight of 169.14 g/mol. Its IUPAC name is 6-methoxy-2-nitropyridin-3-amine.

Molecular Properties

Compound Name6-methoxy-2-nitropyridin-3-amine
PubChem CID13077420
Molecular FormulaC6H7N3O3
Molecular Weight169.14 g/mol
Exact Mass169.05
IUPAC Name6-methoxy-2-nitropyridin-3-amine
SMILESCOc1ccc(N)c([N+](=O)[O-])n1
InChIInChI=1S/C6H7N3O3/c1-12-5-3-2-4(7)6(8-5)9(10)11/h2-3H,7H2,1H3
InChIKeyUPJBCGDOOHYSGL-UHFFFAOYSA-N
XLogP0.58
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 50.58
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 6-methoxy-2-nitropyridin-3-amine?
The IUPAC name of 6-methoxy-2-nitropyridin-3-amine (CID 13077420) is 6-methoxy-2-nitropyridin-3-amine.
What is the SMILES notation for 6-methoxy-2-nitropyridin-3-amine?
The canonical SMILES for 6-methoxy-2-nitropyridin-3-amine is COc1ccc(N)c([N+](=O)[O-])n1.
What is the InChIKey of 6-methoxy-2-nitropyridin-3-amine?
The InChIKey is UPJBCGDOOHYSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3/c1-12-5-3-2-4(7)6(8-5)9(10)11/h2-3H,7H2,1H3.
What are the key properties of 6-methoxy-2-nitropyridin-3-amine?
6-methoxy-2-nitropyridin-3-amine has a molecular weight of 169.14 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-nitropyridin-3-amine is sourced from PubChem (CID 13077420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).