(1R)-1-(5-fluoro-6-methyl-2-pyridinyl)prop-2-en-1-amine

C9H11FN2 — CID 55273784

IUPAC(1R)-1-(5-fluoro-6-methyl-2-pyridinyl)prop-2-en-1-amine
SMILESC=C[C@@H](N)c1ccc(F)c(C)n1
InChIInChI=1S/C9H11FN2/c1-3-8(11)9-5-4-7(10)6(2)12-9/h3-5,8H,1,11H2,2H3/t8-/m1/s1
InChIKeyXFDBNPXZRYGKRP-MRVPVSSYSA-N
MW166.20 g/mol
LogP1.71
Rot. Bonds2

About (1R)-1-(5-fluoro-6-methyl-2-pyridinyl)prop-2-en-1-amine

(1R)-1-(5-fluoro-6-methyl-2-pyridinyl)prop-2-en-1-amine (PubChem CID 55273784) has the molecular formula C9H11FN2 and a molecular weight of 166.20 g/mol. Its IUPAC name is (1R)-1-(5-fluoro-6-methyl-2-pyridinyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(1R)-1-(5-fluoro-6-methyl-2-pyridinyl)prop-2-en-1-amine
PubChem CID55273784
Molecular FormulaC9H11FN2
Molecular Weight166.20 g/mol
Exact Mass166.09
IUPAC Name(1R)-1-(5-fluoro-6-methyl-2-pyridinyl)prop-2-en-1-amine
SMILESC=C[C@@H](N)c1ccc(F)c(C)n1
InChIInChI=1S/C9H11FN2/c1-3-8(11)9-5-4-7(10)6(2)12-9/h3-5,8H,1,11H2,2H3/t8-/m1/s1
InChIKeyXFDBNPXZRYGKRP-MRVPVSSYSA-N
XLogP1.71
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R)-1-(5-fluoro-6-methyl-2-pyridinyl)prop-2-en-1-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 (1R)-1-(5-fluoro-6-methyl-2-pyridinyl)prop-2-en-1-amine?
The IUPAC name of (1R)-1-(5-fluoro-6-methyl-2-pyridinyl)prop-2-en-1-amine (CID 55273784) is (1R)-1-(5-fluoro-6-methyl-2-pyridinyl)prop-2-en-1-amine.
What is the SMILES notation for (1R)-1-(5-fluoro-6-methyl-2-pyridinyl)prop-2-en-1-amine?
The canonical SMILES for (1R)-1-(5-fluoro-6-methyl-2-pyridinyl)prop-2-en-1-amine is C=C[C@@H](N)c1ccc(F)c(C)n1.
What is the InChIKey of (1R)-1-(5-fluoro-6-methyl-2-pyridinyl)prop-2-en-1-amine?
The InChIKey is XFDBNPXZRYGKRP-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H11FN2/c1-3-8(11)9-5-4-7(10)6(2)12-9/h3-5,8H,1,11H2,2H3/t8-/m1/s1.
What are the key properties of (1R)-1-(5-fluoro-6-methyl-2-pyridinyl)prop-2-en-1-amine?
(1R)-1-(5-fluoro-6-methyl-2-pyridinyl)prop-2-en-1-amine has a molecular weight of 166.20 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-fluoro-6-methyl-2-pyridinyl)prop-2-en-1-amine is sourced from PubChem (CID 55273784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).