5-fluoro-2-(3-phenylmethoxyprop-1-ynyl)pyridin-3-amine

C15H13FN2O — CID 146348730

IUPAC5-fluoro-2-(3-phenylmethoxyprop-1-ynyl)pyridin-3-amine
SMILESNc1cc(F)cnc1C#CCOCc1ccccc1
InChIInChI=1S/C15H13FN2O/c16-13-9-14(17)15(18-10-13)7-4-8-19-11-12-5-2-1-3-6-12/h1-3,5-6,9-10H,8,11,17H2
InChIKeySWYZQLPXMMEPNH-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.37
Rot. Bonds3

About 5-fluoro-2-(3-phenylmethoxyprop-1-ynyl)pyridin-3-amine

5-fluoro-2-(3-phenylmethoxyprop-1-ynyl)pyridin-3-amine (PubChem CID 146348730) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 5-fluoro-2-(3-phenylmethoxyprop-1-ynyl)pyridin-3-amine.

Molecular Properties

Compound Name5-fluoro-2-(3-phenylmethoxyprop-1-ynyl)pyridin-3-amine
PubChem CID146348730
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name5-fluoro-2-(3-phenylmethoxyprop-1-ynyl)pyridin-3-amine
SMILESNc1cc(F)cnc1C#CCOCc1ccccc1
InChIInChI=1S/C15H13FN2O/c16-13-9-14(17)15(18-10-13)7-4-8-19-11-12-5-2-1-3-6-12/h1-3,5-6,9-10H,8,11,17H2
InChIKeySWYZQLPXMMEPNH-UHFFFAOYSA-N
XLogP2.37
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(3-phenylmethoxyprop-1-ynyl)pyridin-3-amine?
The IUPAC name of 5-fluoro-2-(3-phenylmethoxyprop-1-ynyl)pyridin-3-amine (CID 146348730) is 5-fluoro-2-(3-phenylmethoxyprop-1-ynyl)pyridin-3-amine.
What is the SMILES notation for 5-fluoro-2-(3-phenylmethoxyprop-1-ynyl)pyridin-3-amine?
The canonical SMILES for 5-fluoro-2-(3-phenylmethoxyprop-1-ynyl)pyridin-3-amine is Nc1cc(F)cnc1C#CCOCc1ccccc1.
What is the InChIKey of 5-fluoro-2-(3-phenylmethoxyprop-1-ynyl)pyridin-3-amine?
The InChIKey is SWYZQLPXMMEPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c16-13-9-14(17)15(18-10-13)7-4-8-19-11-12-5-2-1-3-6-12/h1-3,5-6,9-10H,8,11,17H2.
What are the key properties of 5-fluoro-2-(3-phenylmethoxyprop-1-ynyl)pyridin-3-amine?
5-fluoro-2-(3-phenylmethoxyprop-1-ynyl)pyridin-3-amine has a molecular weight of 256.28 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(3-phenylmethoxyprop-1-ynyl)pyridin-3-amine is sourced from PubChem (CID 146348730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).