3-methoxy-5-nitropyridin-2-amine

C6H7N3O3 — CID 53425786

IUPAC3-methoxy-5-nitropyridin-2-amine
SMILESCOc1cc([N+](=O)[O-])cnc1N
InChIInChI=1S/C6H7N3O3/c1-12-5-2-4(9(10)11)3-8-6(5)7/h2-3H,1H3,(H2,7,8)
InChIKeyMUEPJELQLAYHSH-UHFFFAOYSA-N
MW169.14 g/mol
LogP0.58
Rot. Bonds2

About 3-methoxy-5-nitropyridin-2-amine

3-methoxy-5-nitropyridin-2-amine (PubChem CID 53425786) has the molecular formula C6H7N3O3 and a molecular weight of 169.14 g/mol. Its IUPAC name is 3-methoxy-5-nitropyridin-2-amine.

Molecular Properties

Compound Name3-methoxy-5-nitropyridin-2-amine
PubChem CID53425786
Molecular FormulaC6H7N3O3
Molecular Weight169.14 g/mol
Exact Mass169.05
IUPAC Name3-methoxy-5-nitropyridin-2-amine
SMILESCOc1cc([N+](=O)[O-])cnc1N
InChIInChI=1S/C6H7N3O3/c1-12-5-2-4(9(10)11)3-8-6(5)7/h2-3H,1H3,(H2,7,8)
InChIKeyMUEPJELQLAYHSH-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 3-methoxy-5-nitropyridin-2-amine?
The IUPAC name of 3-methoxy-5-nitropyridin-2-amine (CID 53425786) is 3-methoxy-5-nitropyridin-2-amine.
What is the SMILES notation for 3-methoxy-5-nitropyridin-2-amine?
The canonical SMILES for 3-methoxy-5-nitropyridin-2-amine is COc1cc([N+](=O)[O-])cnc1N.
What is the InChIKey of 3-methoxy-5-nitropyridin-2-amine?
The InChIKey is MUEPJELQLAYHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3/c1-12-5-2-4(9(10)11)3-8-6(5)7/h2-3H,1H3,(H2,7,8).
What are the key properties of 3-methoxy-5-nitropyridin-2-amine?
3-methoxy-5-nitropyridin-2-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 3-methoxy-5-nitropyridin-2-amine is sourced from PubChem (CID 53425786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).