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

C11H9FN4O3 — CID 146296358

IUPAC5-(6-fluoro-3-pyridinyl)-6-methoxy-3-nitropyridin-2-amine
SMILESCOc1nc(N)c([N+](=O)[O-])cc1-c1ccc(F)nc1
InChIInChI=1S/C11H9FN4O3/c1-19-11-7(6-2-3-9(12)14-5-6)4-8(16(17)18)10(13)15-11/h2-5H,1H3,(H2,13,15)
InChIKeyRXAMVFGIJDKLGC-UHFFFAOYSA-N
MW264.22 g/mol
LogP1.78
Rot. Bonds3

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

5-(6-fluoro-3-pyridinyl)-6-methoxy-3-nitropyridin-2-amine (PubChem CID 146296358) has the molecular formula C11H9FN4O3 and a molecular weight of 264.22 g/mol. Its IUPAC name is 5-(6-fluoro-3-pyridinyl)-6-methoxy-3-nitropyridin-2-amine.

Molecular Properties

Compound Name5-(6-fluoro-3-pyridinyl)-6-methoxy-3-nitropyridin-2-amine
PubChem CID146296358
Molecular FormulaC11H9FN4O3
Molecular Weight264.22 g/mol
Exact Mass264.07
IUPAC Name5-(6-fluoro-3-pyridinyl)-6-methoxy-3-nitropyridin-2-amine
SMILESCOc1nc(N)c([N+](=O)[O-])cc1-c1ccc(F)nc1
InChIInChI=1S/C11H9FN4O3/c1-19-11-7(6-2-3-9(12)14-5-6)4-8(16(17)18)10(13)15-11/h2-5H,1H3,(H2,13,15)
InChIKeyRXAMVFGIJDKLGC-UHFFFAOYSA-N
XLogP1.78
TPSA104.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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-fluoro-3-pyridinyl)-6-methoxy-3-nitropyridin-2-amine?
The IUPAC name of 5-(6-fluoro-3-pyridinyl)-6-methoxy-3-nitropyridin-2-amine (CID 146296358) is 5-(6-fluoro-3-pyridinyl)-6-methoxy-3-nitropyridin-2-amine.
What is the SMILES notation for 5-(6-fluoro-3-pyridinyl)-6-methoxy-3-nitropyridin-2-amine?
The canonical SMILES for 5-(6-fluoro-3-pyridinyl)-6-methoxy-3-nitropyridin-2-amine is COc1nc(N)c([N+](=O)[O-])cc1-c1ccc(F)nc1.
What is the InChIKey of 5-(6-fluoro-3-pyridinyl)-6-methoxy-3-nitropyridin-2-amine?
The InChIKey is RXAMVFGIJDKLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4O3/c1-19-11-7(6-2-3-9(12)14-5-6)4-8(16(17)18)10(13)15-11/h2-5H,1H3,(H2,13,15).
What are the key properties of 5-(6-fluoro-3-pyridinyl)-6-methoxy-3-nitropyridin-2-amine?
5-(6-fluoro-3-pyridinyl)-6-methoxy-3-nitropyridin-2-amine has a molecular weight of 264.22 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoro-3-pyridinyl)-6-methoxy-3-nitropyridin-2-amine is sourced from PubChem (CID 146296358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).