6-methoxy-3-nitro-N-propylpyridin-2-amine

C9H13N3O3 — CID 3023912

IUPAC6-methoxy-3-nitro-N-propylpyridin-2-amine
SMILESCCCNc1nc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H13N3O3/c1-3-6-10-9-7(12(13)14)4-5-8(11-9)15-2/h4-5H,3,6H2,1-2H3,(H,10,11)
InChIKeyMVGVWQWWDOENQW-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.82
Rot. Bonds5

About 6-methoxy-3-nitro-N-propylpyridin-2-amine

6-methoxy-3-nitro-N-propylpyridin-2-amine (PubChem CID 3023912) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 6-methoxy-3-nitro-N-propylpyridin-2-amine.

Molecular Properties

Compound Name6-methoxy-3-nitro-N-propylpyridin-2-amine
PubChem CID3023912
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name6-methoxy-3-nitro-N-propylpyridin-2-amine
SMILESCCCNc1nc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H13N3O3/c1-3-6-10-9-7(12(13)14)4-5-8(11-9)15-2/h4-5H,3,6H2,1-2H3,(H,10,11)
InChIKeyMVGVWQWWDOENQW-UHFFFAOYSA-N
XLogP1.82
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.82
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'}

Analyze 6-methoxy-3-nitro-N-propylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-nitro-N-propylpyridin-2-amine?
The IUPAC name of 6-methoxy-3-nitro-N-propylpyridin-2-amine (CID 3023912) is 6-methoxy-3-nitro-N-propylpyridin-2-amine.
What is the SMILES notation for 6-methoxy-3-nitro-N-propylpyridin-2-amine?
The canonical SMILES for 6-methoxy-3-nitro-N-propylpyridin-2-amine is CCCNc1nc(OC)ccc1[N+](=O)[O-].
What is the InChIKey of 6-methoxy-3-nitro-N-propylpyridin-2-amine?
The InChIKey is MVGVWQWWDOENQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-3-6-10-9-7(12(13)14)4-5-8(11-9)15-2/h4-5H,3,6H2,1-2H3,(H,10,11).
What are the key properties of 6-methoxy-3-nitro-N-propylpyridin-2-amine?
6-methoxy-3-nitro-N-propylpyridin-2-amine has a molecular weight of 211.22 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-nitro-N-propylpyridin-2-amine is sourced from PubChem (CID 3023912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).