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

C12H10FN3O3 — CID 146296368

IUPAC5-(2-fluorophenyl)-6-methoxy-3-nitropyridin-2-amine
SMILESCOc1nc(N)c([N+](=O)[O-])cc1-c1ccccc1F
InChIInChI=1S/C12H10FN3O3/c1-19-12-8(7-4-2-3-5-9(7)13)6-10(16(17)18)11(14)15-12/h2-6H,1H3,(H2,14,15)
InChIKeyBCSAHRVPAFBCHG-UHFFFAOYSA-N
MW263.23 g/mol
LogP2.39
Rot. Bonds3

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

5-(2-fluorophenyl)-6-methoxy-3-nitropyridin-2-amine (PubChem CID 146296368) has the molecular formula C12H10FN3O3 and a molecular weight of 263.23 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-6-methoxy-3-nitropyridin-2-amine.

Molecular Properties

Compound Name5-(2-fluorophenyl)-6-methoxy-3-nitropyridin-2-amine
PubChem CID146296368
Molecular FormulaC12H10FN3O3
Molecular Weight263.23 g/mol
Exact Mass263.07
IUPAC Name5-(2-fluorophenyl)-6-methoxy-3-nitropyridin-2-amine
SMILESCOc1nc(N)c([N+](=O)[O-])cc1-c1ccccc1F
InChIInChI=1S/C12H10FN3O3/c1-19-12-8(7-4-2-3-5-9(7)13)6-10(16(17)18)11(14)15-12/h2-6H,1H3,(H2,14,15)
InChIKeyBCSAHRVPAFBCHG-UHFFFAOYSA-N
XLogP2.39
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 52.39
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 5-(2-fluorophenyl)-6-methoxy-3-nitropyridin-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 5-(2-fluorophenyl)-6-methoxy-3-nitropyridin-2-amine?
The IUPAC name of 5-(2-fluorophenyl)-6-methoxy-3-nitropyridin-2-amine (CID 146296368) is 5-(2-fluorophenyl)-6-methoxy-3-nitropyridin-2-amine.
What is the SMILES notation for 5-(2-fluorophenyl)-6-methoxy-3-nitropyridin-2-amine?
The canonical SMILES for 5-(2-fluorophenyl)-6-methoxy-3-nitropyridin-2-amine is COc1nc(N)c([N+](=O)[O-])cc1-c1ccccc1F.
What is the InChIKey of 5-(2-fluorophenyl)-6-methoxy-3-nitropyridin-2-amine?
The InChIKey is BCSAHRVPAFBCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O3/c1-19-12-8(7-4-2-3-5-9(7)13)6-10(16(17)18)11(14)15-12/h2-6H,1H3,(H2,14,15).
What are the key properties of 5-(2-fluorophenyl)-6-methoxy-3-nitropyridin-2-amine?
5-(2-fluorophenyl)-6-methoxy-3-nitropyridin-2-amine has a molecular weight of 263.23 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-6-methoxy-3-nitropyridin-2-amine is sourced from PubChem (CID 146296368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).