5-(3-fluoro-4-pyridinyl)-6-(6-methoxy-3-pyridinyl)pyridin-2-amine

C16H13FN4O — CID 122508259

IUPAC5-(3-fluoro-4-pyridinyl)-6-(6-methoxy-3-pyridinyl)pyridin-2-amine
SMILESCOc1ccc(-c2nc(N)ccc2-c2ccncc2F)cn1
InChIInChI=1S/C16H13FN4O/c1-22-15-5-2-10(8-20-15)16-12(3-4-14(18)21-16)11-6-7-19-9-13(11)17/h2-9H,1H3,(H2,18,21)
InChIKeyHVXBALFEHHSQHR-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.94
Rot. Bonds3

About 5-(3-fluoro-4-pyridinyl)-6-(6-methoxy-3-pyridinyl)pyridin-2-amine

5-(3-fluoro-4-pyridinyl)-6-(6-methoxy-3-pyridinyl)pyridin-2-amine (PubChem CID 122508259) has the molecular formula C16H13FN4O and a molecular weight of 296.31 g/mol. Its IUPAC name is 5-(3-fluoro-4-pyridinyl)-6-(6-methoxy-3-pyridinyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(3-fluoro-4-pyridinyl)-6-(6-methoxy-3-pyridinyl)pyridin-2-amine
PubChem CID122508259
Molecular FormulaC16H13FN4O
Molecular Weight296.31 g/mol
Exact Mass296.11
IUPAC Name5-(3-fluoro-4-pyridinyl)-6-(6-methoxy-3-pyridinyl)pyridin-2-amine
SMILESCOc1ccc(-c2nc(N)ccc2-c2ccncc2F)cn1
InChIInChI=1S/C16H13FN4O/c1-22-15-5-2-10(8-20-15)16-12(3-4-14(18)21-16)11-6-7-19-9-13(11)17/h2-9H,1H3,(H2,18,21)
InChIKeyHVXBALFEHHSQHR-UHFFFAOYSA-N
XLogP2.94
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(3-fluoro-4-pyridinyl)-6-(6-methoxy-3-pyridinyl)pyridin-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-(3-fluoro-4-pyridinyl)-6-(6-methoxy-3-pyridinyl)pyridin-2-amine?
The IUPAC name of 5-(3-fluoro-4-pyridinyl)-6-(6-methoxy-3-pyridinyl)pyridin-2-amine (CID 122508259) is 5-(3-fluoro-4-pyridinyl)-6-(6-methoxy-3-pyridinyl)pyridin-2-amine.
What is the SMILES notation for 5-(3-fluoro-4-pyridinyl)-6-(6-methoxy-3-pyridinyl)pyridin-2-amine?
The canonical SMILES for 5-(3-fluoro-4-pyridinyl)-6-(6-methoxy-3-pyridinyl)pyridin-2-amine is COc1ccc(-c2nc(N)ccc2-c2ccncc2F)cn1.
What is the InChIKey of 5-(3-fluoro-4-pyridinyl)-6-(6-methoxy-3-pyridinyl)pyridin-2-amine?
The InChIKey is HVXBALFEHHSQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O/c1-22-15-5-2-10(8-20-15)16-12(3-4-14(18)21-16)11-6-7-19-9-13(11)17/h2-9H,1H3,(H2,18,21).
What are the key properties of 5-(3-fluoro-4-pyridinyl)-6-(6-methoxy-3-pyridinyl)pyridin-2-amine?
5-(3-fluoro-4-pyridinyl)-6-(6-methoxy-3-pyridinyl)pyridin-2-amine has a molecular weight of 296.31 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-pyridinyl)-6-(6-methoxy-3-pyridinyl)pyridin-2-amine is sourced from PubChem (CID 122508259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).